14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol

C26H46O2 — CID 123826615

IUPAC14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol
SMILESCC(O)CCC(C)C1CCC2C3CC=CCC(C)(O)CCC(C)C3CCC12C
InChIInChI=1S/C26H46O2/c1-18-13-16-25(4,28)15-7-6-8-22-21(18)14-17-26(5)23(11-12-24(22)26)19(2)9-10-20(3)27/h6-7,18-24,27-28H,8-17H2,1-5H3
InChIKeyVDUZPXQFRMJCQA-UHFFFAOYSA-N
MW390.65 g/mol
LogP6.36
Rot. Bonds4

About 14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol

14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol (PubChem CID 123826615) has the molecular formula C26H46O2 and a molecular weight of 390.65 g/mol. Its IUPAC name is 14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol.

Molecular Properties

Compound Name14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol
PubChem CID123826615
Molecular FormulaC26H46O2
Molecular Weight390.65 g/mol
Exact Mass390.35
IUPAC Name14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol
SMILESCC(O)CCC(C)C1CCC2C3CC=CCC(C)(O)CCC(C)C3CCC12C
InChIInChI=1S/C26H46O2/c1-18-13-16-25(4,28)15-7-6-8-22-21(18)14-17-26(5)23(11-12-24(22)26)19(2)9-10-20(3)27/h6-7,18-24,27-28H,8-17H2,1-5H3
InChIKeyVDUZPXQFRMJCQA-UHFFFAOYSA-N
XLogP6.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,8S,9S,10R,13R,14S)-17-[(2R)-5-hydroxyhexan-2-yl]-4,5,6,10,13-pentamethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 135212210
(3S,9S,13R,14S,17R)-17-[(2R)-5-hydroxyhexan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 163531547
ethane;17-(5-hydroxyhexan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 168939384
(2R,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
CID 66900229
(2S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
CID 66899887
(1R)-1-[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 166517186
(3S,8R,9S,10R,13R,14S,17R)-3-ethyl-17-[(2R,5S)-5-hydroxy-6,6-dimethylheptan-2-yl]-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 134452063
(3S,8R,10R,13R,14S,17R)-3-ethyl-17-[(2R)-5-hydroxy-6,6-dimethylheptan-2-yl]-13-methyl-2,4,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 149311307
(3S,5S,8R,9R,10S,13R,14S,17R)-3-ethyl-17-[(2R)-5-hydroxy-6-methylheptan-2-yl]-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 134451674
4,10,13-trimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 633475
(3S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 135209405
(4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide
CID 121272833

Frequently Asked Questions

What is the IUPAC name of 14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol?
The IUPAC name of 14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol (CID 123826615) is 14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol.
What is the SMILES notation for 14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol?
The canonical SMILES for 14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol is CC(O)CCC(C)C1CCC2C3CC=CCC(C)(O)CCC(C)C3CCC12C.
What is the InChIKey of 14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol?
The InChIKey is VDUZPXQFRMJCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2/c1-18-13-16-25(4,28)15-7-6-8-22-21(18)14-17-26(5)23(11-12-24(22)26)19(2)9-10-20(3)27/h6-7,18-24,27-28H,8-17H2,1-5H3.
What are the key properties of 14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol?
14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol has a molecular weight of 390.65 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(5-hydroxyhexan-2-yl)-2,5,15-trimethyltricyclo[8.7.0.011,15]heptadec-7-en-5-ol is sourced from PubChem (CID 123826615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).