[1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole

C295H507N3O19S3 — CID 158954489

IUPAC[1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole
SMILESCC(C)(C)CC(COCCCCCCCCCCCCCCCCc1ccccc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCCCCn1ccnc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCCCc1ccccc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCCCn1cccc1)OCc1ccccc1.CCCCCCCCC/C=C/C(C)CCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCCCCCCCCCC1CC1CCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CS(=O)CCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1
InChIInChI=1S/C36H58O2.C35H56O2.C33H56N2O2.C33H55NO2.2C33H58O2.C31H56O3S.C31H56O2S.C30H54O2S/c1-36(2,3)30-35(38-31-34-27-21-17-22-28-34)32-37-29-23-15-13-11-9-7-5-4-6-8-10-12-14-18-24-33-25-19-16-20-26-33;1-35(2,3)29-34(37-30-33-26-20-16-21-27-33)31-36-28-22-14-12-10-8-6-4-5-7-9-11-13-17-23-32-24-18-15-19-25-32;1-33(2,3)27-32(37-28-31-21-17-16-18-22-31)29-36-26-20-15-13-11-9-7-5-4-6-8-10-12-14-19-24-35-25-23-34-30-35;1-33(2,3)28-32(36-29-31-22-16-15-17-23-31)30-35-27-21-14-12-10-8-6-4-5-7-9-11-13-18-24-34-25-19-20-26-34;1-5-6-7-8-9-10-11-17-22-30-25-31(30)23-18-12-13-19-24-34-28-32(26-33(2,3)4)35-27-29-20-15-14-16-21-29;1-6-7-8-9-10-11-12-13-17-22-30(2)23-18-14-15-21-26-34-29-32(27-33(3,4)5)35-28-31-24-19-16-20-25-31;1-31(2,3)26-30(34-27-29-22-18-17-19-23-29)28-33-24-20-15-13-11-9-7-5-6-8-10-12-14-16-21-25-35(4)32;1-31(2,3)26-30(33-27-29-22-18-17-19-23-29)28-32-24-20-15-13-11-9-7-5-6-8-10-12-14-16-21-25-34-4;1-30(2,3)25-29(32-26-28-21-17-16-18-22-28)27-31-23-19-14-12-10-8-6-5-7-9-11-13-15-20-24-33-4/h16-17,19-22,25-28,35H,4-15,18,23-24,29-32H2,1-3H3;15-16,18-21,24-27,34H,4-14,17,22-23,28-31H2,1-3H3;16-18,21-23,25,30,32H,4-15,19-20,24,26-29H2,1-3H3;15-17,19-20,22-23,25-26,32H,4-14,18,21,24,27-30H2,1-3H3;14-16,20-21,30-32H,5-13,17-19,22-28H2,1-4H3;16-17,19-20,22,24-25,30,32H,6-15,18,21,23,26-29H2,1-5H3;17-19,22-23,30H,5-16,20-21,24-28H2,1-4H3;17-19,22-23,30H,5-16,20-21,24-28H2,1-4H3;16-18,21-22,29H,5-15,19-20,23-27H2,1-4H3/b;;;;;22-17+;;;
InChIKeyJLVIWAGYXOMYCL-GFEBJIGFSA-N
MW4496.50 g/mol
LogP88.67
Rot. Bonds202

About [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole

[1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole (PubChem CID 158954489) has the molecular formula C295H507N3O19S3 and a molecular weight of 4496.50 g/mol. Its IUPAC name is [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole.

Molecular Properties

Compound Name[1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole
PubChem CID158954489
Molecular FormulaC295H507N3O19S3
Molecular Weight4496.50 g/mol
Exact Mass4492.80
IUPAC Name[1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole
SMILESCC(C)(C)CC(COCCCCCCCCCCCCCCCCc1ccccc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCCCCn1ccnc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCCCc1ccccc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCCCn1cccc1)OCc1ccccc1.CCCCCCCCC/C=C/C(C)CCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCCCCCCCCCC1CC1CCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CS(=O)CCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1
InChIInChI=1S/C36H58O2.C35H56O2.C33H56N2O2.C33H55NO2.2C33H58O2.C31H56O3S.C31H56O2S.C30H54O2S/c1-36(2,3)30-35(38-31-34-27-21-17-22-28-34)32-37-29-23-15-13-11-9-7-5-4-6-8-10-12-14-18-24-33-25-19-16-20-26-33;1-35(2,3)29-34(37-30-33-26-20-16-21-27-33)31-36-28-22-14-12-10-8-6-4-5-7-9-11-13-17-23-32-24-18-15-19-25-32;1-33(2,3)27-32(37-28-31-21-17-16-18-22-31)29-36-26-20-15-13-11-9-7-5-4-6-8-10-12-14-19-24-35-25-23-34-30-35;1-33(2,3)28-32(36-29-31-22-16-15-17-23-31)30-35-27-21-14-12-10-8-6-4-5-7-9-11-13-18-24-34-25-19-20-26-34;1-5-6-7-8-9-10-11-17-22-30-25-31(30)23-18-12-13-19-24-34-28-32(26-33(2,3)4)35-27-29-20-15-14-16-21-29;1-6-7-8-9-10-11-12-13-17-22-30(2)23-18-14-15-21-26-34-29-32(27-33(3,4)5)35-28-31-24-19-16-20-25-31;1-31(2,3)26-30(34-27-29-22-18-17-19-23-29)28-33-24-20-15-13-11-9-7-5-6-8-10-12-14-16-21-25-35(4)32;1-31(2,3)26-30(33-27-29-22-18-17-19-23-29)28-32-24-20-15-13-11-9-7-5-6-8-10-12-14-16-21-25-34-4;1-30(2,3)25-29(32-26-28-21-17-16-18-22-28)27-31-23-19-14-12-10-8-6-5-7-9-11-13-15-20-24-33-4/h16-17,19-22,25-28,35H,4-15,18,23-24,29-32H2,1-3H3;15-16,18-21,24-27,34H,4-14,17,22-23,28-31H2,1-3H3;16-18,21-23,25,30,32H,4-15,19-20,24,26-29H2,1-3H3;15-17,19-20,22-23,25-26,32H,4-14,18,21,24,27-30H2,1-3H3;14-16,20-21,30-32H,5-13,17-19,22-28H2,1-4H3;16-17,19-20,22,24-25,30,32H,6-15,18,21,23,26-29H2,1-5H3;17-19,22-23,30H,5-16,20-21,24-28H2,1-4H3;17-19,22-23,30H,5-16,20-21,24-28H2,1-4H3;16-18,21-22,29H,5-15,19-20,23-27H2,1-4H3/b;;;;;22-17+;;;
InChIKeyJLVIWAGYXOMYCL-GFEBJIGFSA-N
XLogP88.67
TPSA205.96 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds202
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004496.50
LogP ≤ 588.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole with MolForge

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Related Compounds

12-(3,3-dimethylbutoxy)dodecylbenzene;1-(3,3-dimethylbutoxy)-12-ethylsulfanyldodecane;1-(3,3-dimethylbutoxy)-13-ethylsulfinyltridecane;1-[6-(3,3-dimethylbutoxy)hexyl]-2-octylcyclopropane;(E)-1-(3,3-dimethylbutoxy)-7-methylhexadec-8-ene;1-(3,3-dimethylbutoxy)-14-methylsulfanyltetradecane;1-(3,3-dimethylbutoxy)-13-methylsulfanyltridecane;1-(3,3-dimethylbutoxy)-14-methylsulfinyltetradecane;14-(3,3-dimethylbutoxy)tetradecylbenzene;1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole;13-(3,3-dimethylbutoxy)tridecylbenzene;1-[13-(3,3-dimethylbutoxy)tridecyl]pyrrole;1-ethoxy-3,3-dimethylbutane
CID 158304202
[4,4-dimethyl-1-(14-methylsulfanyltetradecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(13-methylsulfanyltridecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(14-methylsulfinyltetradecoxy)pentan-2-yl]oxymethylbenzene;(4,4-dimethyl-1-pentadecoxypentan-2-yl)oxymethylbenzene;[4,4-dimethyl-1-(12-phenyldodecoxy)pentan-2-yl]oxymethylbenzene;1-[14-(4,4-dimethyl-2-phenylmethoxypentoxy)tetradecyl]imidazole;1-[13-(4,4-dimethyl-2-phenylmethoxypentoxy)tridecyl]pyrrole;(1-ethoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;[1-(12-ethylsulfanyldodecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;[1-(13-ethylsulfinyltridecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene;(1-hexadecoxy-4,4-dimethylpentan-2-yl)oxymethylbenzene;methane
CID 158941701
[4,4-dimethyl-1-[(E)-7-methylhexadec-8-enoxy]pentan-2-yl]oxymethylbenzene
CID 126578467
1-[5-(4,4-dimethyl-2-phenylmethoxypentoxy)pentyl]-3-(7-methyloctyl)benzene
CID 126578435
[1-(15-fluoropentadecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene
CID 126586651
1-(15-ethylsulfinylpentadecoxy)pentan-2-yloxymethylbenzene
CID 126561997
1-(8-phenyloctyl)imidazole
CID 102394184
1-[1,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propan-2-yl]-4-(2-imidazol-1-ylethyl)piperazine
CID 68661446
1-(16-phenylhexadecoxy)butan-2-yloxymethylbenzene
CID 145255720
1-(8-methylsulfinyloctyl)imidazole
CID 12870534
1-[4-(3-hexadecoxy-2-phenylmethoxypropoxy)butyl]azepane
CID 70484915
1-(15-fluorohexadecoxy)pentan-2-yloxymethylbenzene
CID 155015070

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole?
The IUPAC name of [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole (CID 158954489) is [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole.
What is the SMILES notation for [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole?
The canonical SMILES for [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole is CC(C)(C)CC(COCCCCCCCCCCCCCCCCc1ccccc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCCCCn1ccnc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCCCc1ccccc1)OCc1ccccc1.CC(C)(C)CC(COCCCCCCCCCCCCCCCn1cccc1)OCc1ccccc1.CCCCCCCCC/C=C/C(C)CCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CCCCCCCCCCC1CC1CCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CS(=O)CCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.CSCCCCCCCCCCCCCCCOCC(CC(C)(C)C)OCc1ccccc1.
What is the InChIKey of [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole?
The InChIKey is JLVIWAGYXOMYCL-GFEBJIGFSA-N. The full InChI is InChI=1S/C36H58O2.C35H56O2.C33H56N2O2.C33H55NO2.2C33H58O2.C31H56O3S.C31H56O2S.C30H54O2S/c1-36(2,3)30-35(38-31-34-27-21-17-22-28-34)32-37-29-23-15-13-11-9-7-5-4-6-8-10-12-14-18-24-33-25-19-16-20-26-33;1-35(2,3)29-34(37-30-33-26-20-16-21-27-33)31-36-28-22-14-12-10-8-6-4-5-7-9-11-13-17-23-32-24-18-15-19-25-32;1-33(2,3)27-32(37-28-31-21-17-16-18-22-31)29-36-26-20-15-13-11-9-7-5-4-6-8-10-12-14-19-24-35-25-23-34-30-35;1-33(2,3)28-32(36-29-31-22-16-15-17-23-31)30-35-27-21-14-12-10-8-6-4-5-7-9-11-13-18-24-34-25-19-20-26-34;1-5-6-7-8-9-10-11-17-22-30-25-31(30)23-18-12-13-19-24-34-28-32(26-33(2,3)4)35-27-29-20-15-14-16-21-29;1-6-7-8-9-10-11-12-13-17-22-30(2)23-18-14-15-21-26-34-29-32(27-33(3,4)5)35-28-31-24-19-16-20-25-31;1-31(2,3)26-30(34-27-29-22-18-17-19-23-29)28-33-24-20-15-13-11-9-7-5-6-8-10-12-14-16-21-25-35(4)32;1-31(2,3)26-30(33-27-29-22-18-17-19-23-29)28-32-24-20-15-13-11-9-7-5-6-8-10-12-14-16-21-25-34-4;1-30(2,3)25-29(32-26-28-21-17-16-18-22-28)27-31-23-19-14-12-10-8-6-5-7-9-11-13-15-20-24-33-4/h16-17,19-22,25-28,35H,4-15,18,23-24,29-32H2,1-3H3;15-16,18-21,24-27,34H,4-14,17,22-23,28-31H2,1-3H3;16-18,21-23,25,30,32H,4-15,19-20,24,26-29H2,1-3H3;15-17,19-20,22-23,25-26,32H,4-14,18,21,24,27-30H2,1-3H3;14-16,20-21,30-32H,5-13,17-19,22-28H2,1-4H3;16-17,19-20,22,24-25,30,32H,6-15,18,21,23,26-29H2,1-5H3;17-19,22-23,30H,5-16,20-21,24-28H2,1-4H3;17-19,22-23,30H,5-16,20-21,24-28H2,1-4H3;16-18,21-22,29H,5-15,19-20,23-27H2,1-4H3/b;;;;;22-17+;;;.
What are the key properties of [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole?
[1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole has a molecular weight of 4496.50 g/mol, XLogP of 88.67, 202 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-decylcyclopropyl)hexoxy]-4,4-dimethylpentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-[(E)-7-methyloctadec-8-enoxy]pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfanylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(15-methylsulfanylpentadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-methylsulfinylhexadecoxy)pentan-2-yl]oxymethylbenzene;[4,4-dimethyl-1-(16-phenylhexadecoxy)pentan-2-yl]oxymethylbenzene;1-[16-(4,4-dimethyl-2-phenylmethoxypentoxy)hexadecyl]imidazole;15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecylbenzene;1-[15-(4,4-dimethyl-2-phenylmethoxypentoxy)pentadecyl]pyrrole is sourced from PubChem (CID 158954489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).