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

C24H42O — CID 155752417

IUPAC1-(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
SMILESCC1CCC2C3CCC4(C)C(C(C)O)CCC(C)C4C3CCC2(C)C1
InChIInChI=1S/C24H42O/c1-15-6-8-21-18-11-13-24(5)20(17(3)25)9-7-16(2)22(24)19(18)10-12-23(21,4)14-15/h15-22,25H,6-14H2,1-5H3
InChIKeyMWZXYCZTHMGCRR-UHFFFAOYSA-N
MW346.60 g/mol
LogP6.30
Rot. Bonds1

About 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

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 (PubChem CID 155752417) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID155752417
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name1-(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
SMILESCC1CCC2C3CCC4(C)C(C(C)O)CCC(C)C4C3CCC2(C)C1
InChIInChI=1S/C24H42O/c1-15-6-8-21-18-11-13-24(5)20(17(3)25)9-7-16(2)22(24)19(18)10-12-23(21,4)14-15/h15-22,25H,6-14H2,1-5H3
InChIKeyMWZXYCZTHMGCRR-UHFFFAOYSA-N
XLogP6.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 155733233
methanol;3,5,13,15-tetramethyl-17-prop-1-en-2-yl-2,3,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 155733232
1-[(5R)-5,13-dimethyl-3-methylidene-1,2,4,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanol
CID 155733164
1-(5,17-dimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)ethanol;ethane
CID 155751474
(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
(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-(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
(3S,5S,8R,9R,10S,11S,13S,14R,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
CID 124914833
(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
(5R,17S)-17-(1-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 130253955
(3R,8S,9S,10S,13S,14S,17S)-17-[(1R)-1-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 68570485
(2S,5R,6S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,6-diol
CID 162968129

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCC2C3CCC4(C)C(C(C)O)CCC(C)C4C3CCC2(C)C1.
What is the InChIKey of 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?
The InChIKey is MWZXYCZTHMGCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-15-6-8-21-18-11-13-24(5)20(17(3)25)9-7-16(2)22(24)19(18)10-12-23(21,4)14-15/h15-22,25H,6-14H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 346.60 g/mol, XLogP of 6.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155752417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).