ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol

C27H50O2 — CID 145230724

IUPACethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol
SMILESCC.CC(O)CCCC1CCC2C3CCC4CCC(O)CCC4(C)C3CCC12C
InChIInChI=1S/C25H44O2.C2H6/c1-17(26)5-4-6-18-9-12-22-21-11-8-19-7-10-20(27)13-15-24(19,2)23(21)14-16-25(18,22)3;1-2/h17-23,26-27H,4-16H2,1-3H3;1-2H3
InChIKeyZLGGCVYNEWDVEE-UHFFFAOYSA-N
MW406.70 g/mol
LogP6.97
Rot. Bonds4

About ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol

ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol (PubChem CID 145230724) has the molecular formula C27H50O2 and a molecular weight of 406.70 g/mol. Its IUPAC name is ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol.

Molecular Properties

Compound Nameethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol
PubChem CID145230724
Molecular FormulaC27H50O2
Molecular Weight406.70 g/mol
Exact Mass406.38
IUPAC Nameethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol
SMILESCC.CC(O)CCCC1CCC2C3CCC4CCC(O)CCC4(C)C3CCC12C
InChIInChI=1S/C25H44O2.C2H6/c1-17(26)5-4-6-18-9-12-22-21-11-8-19-7-10-20(27)13-15-24(19,2)23(21)14-16-25(18,22)3;1-2/h17-23,26-27H,4-16H2,1-3H3;1-2H3
InChIKeyZLGGCVYNEWDVEE-UHFFFAOYSA-N
XLogP6.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol with MolForge

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Related Compounds

ethane;17-(4-hydroxy-5-methylhexyl)-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 145230763
17-(4-hydroxy-4-phenylbutyl)-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 142332453
butane;10,13-dimethyl-17-(4-methylpentyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145429430
ethane;(17S)-17-[4-(1-hydroxycyclopropyl)butyl]-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 145230509
(3S,8S,13R,17S)-17-[3-(4,4-dimethylcyclohexyl)propyl]-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 170095991
(17S)-17-(3-cyclopentylpropyl)-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 134455217
17-(2-hydroxyethyl)-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 3603882
4-[(3R,5R,10S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
CID 145414536
(8S,9S,10S,13R,14S,17R)-17-(2-chloroethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-ol
CID 57265015
10,13-dimethyl-17-[3-(4-methylcyclohexyl)propyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 142332710
17-(4-cyclohexylbutyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;fluoroform;methane
CID 142332675
(3S,17S)-3,10,13-trimethyl-17-[(4S)-4-methylheptyl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 166170906

Frequently Asked Questions

What is the IUPAC name of ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol?
The IUPAC name of ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol (CID 145230724) is ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol.
What is the SMILES notation for ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol?
The canonical SMILES for ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol is CC.CC(O)CCCC1CCC2C3CCC4CCC(O)CCC4(C)C3CCC12C.
What is the InChIKey of ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol?
The InChIKey is ZLGGCVYNEWDVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O2.C2H6/c1-17(26)5-4-6-18-9-12-22-21-11-8-19-7-10-20(27)13-15-24(19,2)23(21)14-16-25(18,22)3;1-2/h17-23,26-27H,4-16H2,1-3H3;1-2H3.
What are the key properties of ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol?
ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol has a molecular weight of 406.70 g/mol, XLogP of 6.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;15-(4-hydroxypentyl)-2,16-dimethyltetracyclo[9.7.0.02,8.012,16]octadecan-5-ol is sourced from PubChem (CID 145230724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).