ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol

C29H58O3 — CID 142089296

IUPACethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol
SMILESCC.CC.CCCCC(C)C1CCC2C3C(O)CC4CCCCC4(C)C3CCC12O.CO
InChIInChI=1S/C24H42O2.2C2H6.CH4O/c1-4-5-8-16(2)18-10-11-20-22-19(12-14-24(18,20)26)23(3)13-7-6-9-17(23)15-21(22)25;3*1-2/h16-22,25-26H,4-15H2,1-3H3;2*1-2H3;2H,1H3
InChIKeyKZXHYFUJNGHTOY-UHFFFAOYSA-N
MW454.78 g/mol
LogP7.22
Rot. Bonds4

About ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol

ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol (PubChem CID 142089296) has the molecular formula C29H58O3 and a molecular weight of 454.78 g/mol. Its IUPAC name is ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol.

Molecular Properties

Compound Nameethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol
PubChem CID142089296
Molecular FormulaC29H58O3
Molecular Weight454.78 g/mol
Exact Mass454.44
IUPAC Nameethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol
SMILESCC.CC.CCCCC(C)C1CCC2C3C(O)CC4CCCCC4(C)C3CCC12O.CO
InChIInChI=1S/C24H42O2.2C2H6.CH4O/c1-4-5-8-16(2)18-10-11-20-22-19(12-14-24(18,20)26)23(3)13-7-6-9-17(23)15-21(22)25;3*1-2/h16-22,25-26H,4-15H2,1-3H3;2*1-2H3;2H,1H3
InChIKeyKZXHYFUJNGHTOY-UHFFFAOYSA-N
XLogP7.22
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 57.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
CID 22267037
(5R,7R,8S,9S,10R,13S,14R,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
CID 125030036
(5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
CID 142797493
(5R,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
CID 12724566
(8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
CID 67140425
(5S,8S,14S)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol
CID 123140727
(7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol
CID 163648711
(4R)-N-[2-[2-(didodecylamino)ethyl-dodecylamino]ethyl]-4-(7-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)pentanamide
CID 171797260
ethane;10-methyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-13-ol
CID 142849800
(4S)-4-[(5S,7R,8R,9R,10S,13R,14R,17R)-7-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]pentanoic acid
CID 7173530
4-[(10S,13R)-7-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]pentanoic acid
CID 177196195
(4R)-4-[(7R,8R,9S,10S,13R,14S,17R)-7-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]pentanoic acid
CID 22827124

Frequently Asked Questions

What is the IUPAC name of ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol?
The IUPAC name of ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol (CID 142089296) is ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol.
What is the SMILES notation for ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol?
The canonical SMILES for ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol is CC.CC.CCCCC(C)C1CCC2C3C(O)CC4CCCCC4(C)C3CCC12O.CO.
What is the InChIKey of ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol?
The InChIKey is KZXHYFUJNGHTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2.2C2H6.CH4O/c1-4-5-8-16(2)18-10-11-20-22-19(12-14-24(18,20)26)23(3)13-7-6-9-17(23)15-21(22)25;3*1-2/h16-22,25-26H,4-15H2,1-3H3;2*1-2H3;2H,1H3.
What are the key properties of ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol?
ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol has a molecular weight of 454.78 g/mol, XLogP of 7.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;17-hexan-2-yl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,13-diol;methanol is sourced from PubChem (CID 142089296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).