tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid

C117H204O30 — CID 158057219

IUPACtert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(CCCCCC(O)CCCCCC2(C(=O)OC(C)(C)C)CC2)CC1.CC(C)(CCCCC(O)CCCCC1(C(=O)O)CC1)C(=O)O.CC(C)(CCCCC(O)CCCCC1(C(=O)O)CCC1)C(=O)O.CC(C)(CCCCCC(O)CCCCCC1(C(=O)O)CC1)C(=O)O.O=C(O)C1(CCCCC(O)CCCCC2(C(=O)O)CC2)CC1.O=C(O)C1(CCCCCC(O)CCCCCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C27H48O5.C19H32O5.C19H34O5.C18H32O5.C17H28O5.C17H30O5/c1-24(2,3)31-22(29)26(17-18-26)15-11-7-9-13-21(28)14-10-8-12-16-27(19-20-27)23(30)32-25(4,5)6;20-15(7-3-1-5-9-18(11-12-18)16(21)22)8-4-2-6-10-19(13-14-19)17(23)24;1-18(2,16(21)22)11-7-3-5-9-15(20)10-6-4-8-12-19(13-14-19)17(23)24;1-17(2,15(20)21)10-5-3-8-14(19)9-4-6-11-18(16(22)23)12-7-13-18;18-13(5-1-3-7-16(9-10-16)14(19)20)6-2-4-8-17(11-12-17)15(21)22;1-16(2,14(19)20)9-5-3-7-13(18)8-4-6-10-17(11-12-17)15(21)22/h21,28H,7-20H2,1-6H3;15,20H,1-14H2,(H,21,22)(H,23,24);15,20H,3-14H2,1-2H3,(H,21,22)(H,23,24);14,19H,3-13H2,1-2H3,(H,20,21)(H,22,23);13,18H,1-12H2,(H,19,20)(H,21,22);13,18H,3-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyFKEYYQMJTYTHQB-UHFFFAOYSA-N
MW2090.89 g/mol
LogP25.17
Rot. Bonds78

About tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid

tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid (PubChem CID 158057219) has the molecular formula C117H204O30 and a molecular weight of 2090.89 g/mol. Its IUPAC name is tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid
PubChem CID158057219
Molecular FormulaC117H204O30
Molecular Weight2090.89 g/mol
Exact Mass2089.44
IUPAC Nametert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(CCCCCC(O)CCCCCC2(C(=O)OC(C)(C)C)CC2)CC1.CC(C)(CCCCC(O)CCCCC1(C(=O)O)CC1)C(=O)O.CC(C)(CCCCC(O)CCCCC1(C(=O)O)CCC1)C(=O)O.CC(C)(CCCCCC(O)CCCCCC1(C(=O)O)CC1)C(=O)O.O=C(O)C1(CCCCC(O)CCCCC2(C(=O)O)CC2)CC1.O=C(O)C1(CCCCCC(O)CCCCCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C27H48O5.C19H32O5.C19H34O5.C18H32O5.C17H28O5.C17H30O5/c1-24(2,3)31-22(29)26(17-18-26)15-11-7-9-13-21(28)14-10-8-12-16-27(19-20-27)23(30)32-25(4,5)6;20-15(7-3-1-5-9-18(11-12-18)16(21)22)8-4-2-6-10-19(13-14-19)17(23)24;1-18(2,16(21)22)11-7-3-5-9-15(20)10-6-4-8-12-19(13-14-19)17(23)24;1-17(2,15(20)21)10-5-3-8-14(19)9-4-6-11-18(16(22)23)12-7-13-18;18-13(5-1-3-7-16(9-10-16)14(19)20)6-2-4-8-17(11-12-17)15(21)22;1-16(2,14(19)20)9-5-3-7-13(18)8-4-6-10-17(11-12-17)15(21)22/h21,28H,7-20H2,1-6H3;15,20H,1-14H2,(H,21,22)(H,23,24);15,20H,3-14H2,1-2H3,(H,21,22)(H,23,24);14,19H,3-13H2,1-2H3,(H,20,21)(H,22,23);13,18H,1-12H2,(H,19,20)(H,21,22);13,18H,3-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyFKEYYQMJTYTHQB-UHFFFAOYSA-N
XLogP25.17
TPSA546.98 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds78
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002090.89
LogP ≤ 525.17
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-(10-carboxy-10-methyl-5-oxoundecyl)cyclobutane-1-carboxylic acid
CID 11645559
tert-butyl 1-(7-bromoheptyl)cyclobutane-1-carboxylate
CID 166525029
tert-butyl 1-[11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]-6-nitrosoundecyl]cyclopropane-1-carboxylate
CID 121354058
1-[6-hydroxy-11-(1-methoxycyclopropyl)undecyl]cyclopropane-1-carboxylic acid
CID 66922787
1-[6-hydroxy-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylic acid
CID 90941493
7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
tert-butyl 1-[10-[1-(2-iminoacetyl)cyclobutyl]decyl]cyclopropane-1-carboxylate
CID 123874947
1-[6-[2-(7-carboxy-7-methyloctyl)-3,6-dihydroxyphenyl]hexyl]cyclopropane-1-carboxylic acid
CID 155771292
1-[5-[2-(5-carboxy-5-methylhexyl)-4,5-dihydroxyphenyl]pentyl]cyclopropane-1-carboxylic acid
CID 155770449
1-[6-[2-(7-carboxy-7-methyloctyl)-4,5-dimethylphenyl]hexyl]cyclopropane-1-carboxylic acid
CID 155770622
tert-butyl 1-butylcyclohexane-1-carboxylate
CID 150671065
1-[4-[2-(5,5-dimethylhexyl)phenyl]butyl]cyclopropane-1-carboxylic acid;7-[2-(5,5-dimethylhexyl)phenyl]-2,2-dimethylheptanoic acid;6-[2-(5,5-dimethylhexyl)phenyl]-2,2-dimethylhexanoic acid;7-[2-(7,7-dimethyloctyl)phenyl]-2,2-dimethylheptanoic acid;8-[2-(7,7-dimethyloctyl)phenyl]-2,2-dimethyloctanoic acid
CID 157481665

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid?
The IUPAC name of tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid (CID 158057219) is tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)C1(CCCCCC(O)CCCCCC2(C(=O)OC(C)(C)C)CC2)CC1.CC(C)(CCCCC(O)CCCCC1(C(=O)O)CC1)C(=O)O.CC(C)(CCCCC(O)CCCCC1(C(=O)O)CCC1)C(=O)O.CC(C)(CCCCCC(O)CCCCCC1(C(=O)O)CC1)C(=O)O.O=C(O)C1(CCCCC(O)CCCCC2(C(=O)O)CC2)CC1.O=C(O)C1(CCCCCC(O)CCCCCC2(C(=O)O)CC2)CC1.
What is the InChIKey of tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid?
The InChIKey is FKEYYQMJTYTHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O5.C19H32O5.C19H34O5.C18H32O5.C17H28O5.C17H30O5/c1-24(2,3)31-22(29)26(17-18-26)15-11-7-9-13-21(28)14-10-8-12-16-27(19-20-27)23(30)32-25(4,5)6;20-15(7-3-1-5-9-18(11-12-18)16(21)22)8-4-2-6-10-19(13-14-19)17(23)24;1-18(2,16(21)22)11-7-3-5-9-15(20)10-6-4-8-12-19(13-14-19)17(23)24;1-17(2,15(20)21)10-5-3-8-14(19)9-4-6-11-18(16(22)23)12-7-13-18;18-13(5-1-3-7-16(9-10-16)14(19)20)6-2-4-8-17(11-12-17)15(21)22;1-16(2,14(19)20)9-5-3-7-13(18)8-4-6-10-17(11-12-17)15(21)22/h21,28H,7-20H2,1-6H3;15,20H,1-14H2,(H,21,22)(H,23,24);15,20H,3-14H2,1-2H3,(H,21,22)(H,23,24);14,19H,3-13H2,1-2H3,(H,20,21)(H,22,23);13,18H,1-12H2,(H,19,20)(H,21,22);13,18H,3-12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid?
tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid has a molecular weight of 2090.89 g/mol, XLogP of 25.17, 78 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[6-hydroxy-11-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]undecyl]cyclopropane-1-carboxylate;1-[9-(1-carboxycyclopropyl)-5-hydroxynonyl]cyclopropane-1-carboxylic acid;1-[11-(1-carboxycyclopropyl)-6-hydroxyundecyl]cyclopropane-1-carboxylic acid;1-(12-carboxy-6-hydroxy-12-methyltridecyl)cyclopropane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclobutane-1-carboxylic acid;1-(10-carboxy-5-hydroxy-10-methylundecyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 158057219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).