1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid

C289H505F2NO41S2 — CID 159421087

IUPAC1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)C1(CCCCCCCCCCCC2(CC(=O)O)CC2)CC1.CC(=O)C1(CCCCCCCCCCCCC2(C(N)=O)CC2)CC1.CC(F)C1(CCCCCCCCCCCCC2(C(=O)O)CC2)CC1.CCOC(=O)C1(CCCCCCCCCCCC2(C(=O)O)CC2)CC1.CCOC(=O)C1(CCCCCCCCCCCC2(CO)CC2)CC1.CCOC(=O)C1(CCCCCCCCCCCCC2(C(C)F)CC2)CC1.COC(=O)C1(CCCCCCCCCCCCC2(C(=O)CC3CC3)CC2)CC1.COC(=O)C1(CCCCCCCCCCCCC2(C(=O)CS(C)(=O)=O)CC2)CC1.COC(=O)C1(CCCCCCCCCCCCC2(C(C)=O)CC2)CC1.COCC1(CCCCCCCCCCCCC2(COC)CC2)CC1.CS(=O)(=O)CC(=O)C1(CCCCCCCCCCCCC2(C(=O)O)CC2)CC1.O=C(O)C1(CCCCCCCCCCCCC2(C(=O)CC3CC3)CC2)CC1.O=C(O)C1(CCCCCCCCCCCCC2(C(=O)CCCO)CC2)CC1
InChIInChI=1S/C25H42O3.C24H40O3.C23H41FO2.C23H40O5S.C23H40O4.C22H38O5S.C22H38O3.C22H42O2.C21H37FO2.C21H37NO2.C21H36O4.C21H36O3.C21H38O3/c1-28-23(27)25(18-19-25)15-11-9-7-5-3-2-4-6-8-10-14-24(16-17-24)22(26)20-21-12-13-21;25-21(19-20-11-12-20)23(15-16-23)13-9-7-5-3-1-2-4-6-8-10-14-24(17-18-24)22(26)27;1-3-26-21(25)23(18-19-23)15-13-11-9-7-5-4-6-8-10-12-14-22(16-17-22)20(2)24;1-28-21(25)23(17-18-23)14-12-10-8-6-4-3-5-7-9-11-13-22(15-16-22)20(24)19-29(2,26)27;24-19-11-12-20(25)22(15-16-22)13-9-7-5-3-1-2-4-6-8-10-14-23(17-18-23)21(26)27;1-28(26,27)18-19(23)21(14-15-21)12-10-8-6-4-2-3-5-7-9-11-13-22(16-17-22)20(24)25;1-19(23)21(15-16-21)13-11-9-7-5-3-4-6-8-10-12-14-22(17-18-22)20(24)25-2;1-23-19-21(15-16-21)13-11-9-7-5-3-4-6-8-10-12-14-22(17-18-22)20-24-2;1-18(22)20(14-15-20)12-10-8-6-4-2-3-5-7-9-11-13-21(16-17-21)19(23)24;1-18(23)20(14-15-20)12-10-8-6-4-2-3-5-7-9-11-13-21(16-17-21)19(22)24;1-2-25-19(24)21(16-17-21)13-11-9-7-5-3-4-6-8-10-12-20(14-15-20)18(22)23;1-18(22)21(15-16-21)12-10-8-6-4-2-3-5-7-9-11-20(13-14-20)17-19(23)24;1-2-24-19(23)21(16-17-21)13-11-9-7-5-3-4-6-8-10-12-20(18-22)14-15-20/h21H,2-20H2,1H3;20H,1-19H2,(H,26,27);20H,3-19H2,1-2H3;3-19H2,1-2H3;24H,1-19H2,(H,26,27);2-18H2,1H3,(H,24,25);3-18H2,1-2H3;3-20H2,1-2H3;18H,2-17H2,1H3,(H,23,24);2-17H2,1H3,(H2,22,24);2-17H2,1H3,(H,22,23);2-17H2,1H3,(H,23,24);22H,2-18H2,1H3
InChIKeyLPTTXLQBHSRSGI-UHFFFAOYSA-N
MW4752.32 g/mol
LogP77.46
Rot. Bonds209

About 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid

1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid (PubChem CID 159421087) has the molecular formula C289H505F2NO41S2 and a molecular weight of 4752.32 g/mol. Its IUPAC name is 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid
PubChem CID159421087
Molecular FormulaC289H505F2NO41S2
Molecular Weight4752.32 g/mol
Exact Mass4748.69
IUPAC Name1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)C1(CCCCCCCCCCCC2(CC(=O)O)CC2)CC1.CC(=O)C1(CCCCCCCCCCCCC2(C(N)=O)CC2)CC1.CC(F)C1(CCCCCCCCCCCCC2(C(=O)O)CC2)CC1.CCOC(=O)C1(CCCCCCCCCCCC2(C(=O)O)CC2)CC1.CCOC(=O)C1(CCCCCCCCCCCC2(CO)CC2)CC1.CCOC(=O)C1(CCCCCCCCCCCCC2(C(C)F)CC2)CC1.COC(=O)C1(CCCCCCCCCCCCC2(C(=O)CC3CC3)CC2)CC1.COC(=O)C1(CCCCCCCCCCCCC2(C(=O)CS(C)(=O)=O)CC2)CC1.COC(=O)C1(CCCCCCCCCCCCC2(C(C)=O)CC2)CC1.COCC1(CCCCCCCCCCCCC2(COC)CC2)CC1.CS(=O)(=O)CC(=O)C1(CCCCCCCCCCCCC2(C(=O)O)CC2)CC1.O=C(O)C1(CCCCCCCCCCCCC2(C(=O)CC3CC3)CC2)CC1.O=C(O)C1(CCCCCCCCCCCCC2(C(=O)CCCO)CC2)CC1
InChIInChI=1S/C25H42O3.C24H40O3.C23H41FO2.C23H40O5S.C23H40O4.C22H38O5S.C22H38O3.C22H42O2.C21H37FO2.C21H37NO2.C21H36O4.C21H36O3.C21H38O3/c1-28-23(27)25(18-19-25)15-11-9-7-5-3-2-4-6-8-10-14-24(16-17-24)22(26)20-21-12-13-21;25-21(19-20-11-12-20)23(15-16-23)13-9-7-5-3-1-2-4-6-8-10-14-24(17-18-24)22(26)27;1-3-26-21(25)23(18-19-23)15-13-11-9-7-5-4-6-8-10-12-14-22(16-17-22)20(2)24;1-28-21(25)23(17-18-23)14-12-10-8-6-4-3-5-7-9-11-13-22(15-16-22)20(24)19-29(2,26)27;24-19-11-12-20(25)22(15-16-22)13-9-7-5-3-1-2-4-6-8-10-14-23(17-18-23)21(26)27;1-28(26,27)18-19(23)21(14-15-21)12-10-8-6-4-2-3-5-7-9-11-13-22(16-17-22)20(24)25;1-19(23)21(15-16-21)13-11-9-7-5-3-4-6-8-10-12-14-22(17-18-22)20(24)25-2;1-23-19-21(15-16-21)13-11-9-7-5-3-4-6-8-10-12-14-22(17-18-22)20-24-2;1-18(22)20(14-15-20)12-10-8-6-4-2-3-5-7-9-11-13-21(16-17-21)19(23)24;1-18(23)20(14-15-20)12-10-8-6-4-2-3-5-7-9-11-13-21(16-17-21)19(22)24;1-2-25-19(24)21(16-17-21)13-11-9-7-5-3-4-6-8-10-12-20(14-15-20)18(22)23;1-18(22)21(15-16-21)12-10-8-6-4-2-3-5-7-9-11-20(13-14-20)17-19(23)24;1-2-24-19(23)21(16-17-21)13-11-9-7-5-3-4-6-8-10-12-20(18-22)14-15-20/h21H,2-20H2,1H3;20H,1-19H2,(H,26,27);20H,3-19H2,1-2H3;3-19H2,1-2H3;24H,1-19H2,(H,26,27);2-18H2,1H3,(H,24,25);3-18H2,1-2H3;3-20H2,1-2H3;18H,2-17H2,1H3,(H,23,24);2-17H2,1H3,(H2,22,24);2-17H2,1H3,(H,22,23);2-17H2,1H3,(H,23,24);22H,2-18H2,1H3
InChIKeyLPTTXLQBHSRSGI-UHFFFAOYSA-N
XLogP77.46
TPSA688.45 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds209
Heavy Atoms335
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004752.32
LogP ≤ 577.46
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid (CID 159421087) is 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid is CC(=O)C1(CCCCCCCCCCCC2(CC(=O)O)CC2)CC1.CC(=O)C1(CCCCCCCCCCCCC2(C(N)=O)CC2)CC1.CC(F)C1(CCCCCCCCCCCCC2(C(=O)O)CC2)CC1.CCOC(=O)C1(CCCCCCCCCCCC2(C(=O)O)CC2)CC1.CCOC(=O)C1(CCCCCCCCCCCC2(CO)CC2)CC1.CCOC(=O)C1(CCCCCCCCCCCCC2(C(C)F)CC2)CC1.COC(=O)C1(CCCCCCCCCCCCC2(C(=O)CC3CC3)CC2)CC1.COC(=O)C1(CCCCCCCCCCCCC2(C(=O)CS(C)(=O)=O)CC2)CC1.COC(=O)C1(CCCCCCCCCCCCC2(C(C)=O)CC2)CC1.COCC1(CCCCCCCCCCCCC2(COC)CC2)CC1.CS(=O)(=O)CC(=O)C1(CCCCCCCCCCCCC2(C(=O)O)CC2)CC1.O=C(O)C1(CCCCCCCCCCCCC2(C(=O)CC3CC3)CC2)CC1.O=C(O)C1(CCCCCCCCCCCCC2(C(=O)CCCO)CC2)CC1.
What is the InChIKey of 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid?
The InChIKey is LPTTXLQBHSRSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O3.C24H40O3.C23H41FO2.C23H40O5S.C23H40O4.C22H38O5S.C22H38O3.C22H42O2.C21H37FO2.C21H37NO2.C21H36O4.C21H36O3.C21H38O3/c1-28-23(27)25(18-19-25)15-11-9-7-5-3-2-4-6-8-10-14-24(16-17-24)22(26)20-21-12-13-21;25-21(19-20-11-12-20)23(15-16-23)13-9-7-5-3-1-2-4-6-8-10-14-24(17-18-24)22(26)27;1-3-26-21(25)23(18-19-23)15-13-11-9-7-5-4-6-8-10-12-14-22(16-17-22)20(2)24;1-28-21(25)23(17-18-23)14-12-10-8-6-4-3-5-7-9-11-13-22(15-16-22)20(24)19-29(2,26)27;24-19-11-12-20(25)22(15-16-22)13-9-7-5-3-1-2-4-6-8-10-14-23(17-18-23)21(26)27;1-28(26,27)18-19(23)21(14-15-21)12-10-8-6-4-2-3-5-7-9-11-13-22(16-17-22)20(24)25;1-19(23)21(15-16-21)13-11-9-7-5-3-4-6-8-10-12-14-22(17-18-22)20(24)25-2;1-23-19-21(15-16-21)13-11-9-7-5-3-4-6-8-10-12-14-22(17-18-22)20-24-2;1-18(22)20(14-15-20)12-10-8-6-4-2-3-5-7-9-11-13-21(16-17-21)19(23)24;1-18(23)20(14-15-20)12-10-8-6-4-2-3-5-7-9-11-13-21(16-17-21)19(22)24;1-2-25-19(24)21(16-17-21)13-11-9-7-5-3-4-6-8-10-12-20(14-15-20)18(22)23;1-18(22)21(15-16-21)12-10-8-6-4-2-3-5-7-9-11-20(13-14-20)17-19(23)24;1-2-24-19(23)21(16-17-21)13-11-9-7-5-3-4-6-8-10-12-20(18-22)14-15-20/h21H,2-20H2,1H3;20H,1-19H2,(H,26,27);20H,3-19H2,1-2H3;3-19H2,1-2H3;24H,1-19H2,(H,26,27);2-18H2,1H3,(H,24,25);3-18H2,1-2H3;3-20H2,1-2H3;18H,2-17H2,1H3,(H,23,24);2-17H2,1H3,(H2,22,24);2-17H2,1H3,(H,22,23);2-17H2,1H3,(H,23,24);22H,2-18H2,1H3.
What are the key properties of 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid?
1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid has a molecular weight of 4752.32 g/mol, XLogP of 77.46, 209 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxamide;2-[1-[11-(1-acetylcyclopropyl)undecyl]cyclopropyl]acetic acid;1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[11-(1-ethoxycarbonylcyclopropyl)undecyl]cyclopropane-1-carboxylic acid;ethyl 1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;ethyl 1-[11-[1-(hydroxymethyl)cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[12-[1-(1-fluoroethyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-[12-[1-(4-hydroxybutanoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;1-(methoxymethyl)-1-[12-[1-(methoxymethyl)cyclopropyl]dodecyl]cyclopropane;methyl 1-[12-(1-acetylcyclopropyl)dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-cyclopropylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;methyl 1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylate;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 159421087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).