1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane

C25H46O — CID 155751474

IUPAC1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane
SMILESCC.CC1CCC2CCC3C(CCC4(C)C(C(C)O)CCCC34)C2CC1
InChIInChI=1S/C23H40O.C2H6/c1-15-7-9-17-10-12-20-19(18(17)11-8-15)13-14-23(3)21(16(2)24)5-4-6-22(20)23;1-2/h15-22,24H,4-14H2,1-3H3;1-2H3
InChIKeyGQAJMUFUYJMIPR-UHFFFAOYSA-N
MW362.64 g/mol
LogP7.08
Rot. Bonds1

About 1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane

1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane (PubChem CID 155751474) has the molecular formula C25H46O and a molecular weight of 362.64 g/mol. Its IUPAC name is 1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane.

Molecular Properties

Compound Name1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane
PubChem CID155751474
Molecular FormulaC25H46O
Molecular Weight362.64 g/mol
Exact Mass362.35
IUPAC Name1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane
SMILESCC.CC1CCC2CCC3C(CCC4(C)C(C(C)O)CCCC34)C2CC1
InChIInChI=1S/C23H40O.C2H6/c1-15-7-9-17-10-12-20-19(18(17)11-8-15)13-14-23(3)21(16(2)24)5-4-6-22(20)23;1-2/h15-22,24H,4-14H2,1-3H3;1-2H3
InChIKeyGQAJMUFUYJMIPR-UHFFFAOYSA-N
XLogP7.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(8,12a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1H-chrysen-1-yl)ethanol
CID 163383696
1-(6-ethyl-17-methyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol
CID 155751356
(3R,5R,8R,9R,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 146659382
(1S)-1-[(3S,5S,8R,9R,10S,13S,14S,17S)-3-amino-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethanol;hydrochloride
CID 22823687
(2R,3S,5S,8R,9R,10S,13S,14S,17S)-17-(1-hydroxyethyl)-2,3,13-trimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 118919804
1-[(1'R,2'S,8'R,11'R,12'S,15'S,16'S)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.02,8.012,16]octadecane]-15'-yl]ethanol
CID 167407598
2-(12a-methyl-8-propyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1H-chrysen-1-yl)propan-1-ol
CID 155752619
CID 167578614
CID 167578614
1-(8-ethyl-12a-methyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1H-chrysen-1-yl)ethanamine
CID 155752709
methane;1-[5-(methoxymethyl)-2,8,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanol
CID 155751479
1-(4,6a,8,12a-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl)ethanol
CID 155752417
3-[1-[(1S,12aS)-8,12a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1H-chrysen-1-yl]ethylamino]benzonitrile
CID 155752593

Frequently Asked Questions

What is the IUPAC name of 1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane?
The IUPAC name of 1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane (CID 155751474) is 1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane.
What is the SMILES notation for 1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane?
The canonical SMILES for 1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane is CC.CC1CCC2CCC3C(CCC4(C)C(C(C)O)CCCC34)C2CC1.
What is the InChIKey of 1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane?
The InChIKey is GQAJMUFUYJMIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O.C2H6/c1-15-7-9-17-10-12-20-19(18(17)11-8-15)13-14-23(3)21(16(2)24)5-4-6-22(20)23;1-2/h15-22,24H,4-14H2,1-3H3;1-2H3.
What are the key properties of 1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane?
1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane has a molecular weight of 362.64 g/mol, XLogP of 7.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane is sourced from PubChem (CID 155751474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).