10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

C25H42O4Si — CID 154170132

IUPAC10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILESCC(C)(C)[SiH2]OC(C)(C)C12CCC(=O)CC1C(O)CC1C3CCC(=O)C3(C)CCC12
InChIInChI=1S/C25H42O4Si/c1-22(2,3)30-29-23(4,5)25-12-9-15(26)13-19(25)20(27)14-16-17-7-8-21(28)24(17,6)11-10-18(16)25/h16-20,27H,7-14,30H2,1-6H3
InChIKeyJKJNZNANLFEXHQ-UHFFFAOYSA-N
MW434.69 g/mol
LogP4.22
Rot. Bonds3

About 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (PubChem CID 154170132) has the molecular formula C25H42O4Si and a molecular weight of 434.69 g/mol. Its IUPAC name is 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
PubChem CID154170132
Molecular FormulaC25H42O4Si
Molecular Weight434.69 g/mol
Exact Mass434.29
IUPAC Name10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SMILESCC(C)(C)[SiH2]OC(C)(C)C12CCC(=O)CC1C(O)CC1C3CCC(=O)C3(C)CCC12
InChIInChI=1S/C25H42O4Si/c1-22(2,3)30-29-23(4,5)25-12-9-15(26)13-19(25)20(27)14-16-17-7-8-21(28)24(17,6)11-10-18(16)25/h16-20,27H,7-14,30H2,1-6H3
InChIKeyJKJNZNANLFEXHQ-UHFFFAOYSA-N
XLogP4.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.69
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione with MolForge

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Related Compounds

(5R,6S,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 22296021
(1S,5S)-5-methyl-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecane-6,15-dione
CID 73055997
(5R,6R,8R,9S,10R,13S,14S)-10-(hydroxymethyl)-6,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 86735432
(3S,10R,13S)-3-(2-cyclohexylethyl)-6-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 166581557
(3S,6R,8R,9S,10R,13S,14S)-3,6-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 15341083
(5S,6S)-6-hydroxy-10-(hydroxymethyl)-13-methyl-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-1,17-dione
CID 45043667
(8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 71309683
10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 443
(6R,8R,9S,13S,14S)-6-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 70987856
(8R,9S,10R,13S,14S)-6,17-dihydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 101227392
(3aS,3bR,5R,9aR,9bS,11aS)-5-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,5,9,9b,10,11-decahydroindeno[4,5-h]isochromene-1,7-dione
CID 100956179
(4aR,6aS,9aS,9bS)-3-hydroxy-6a-methyl-1,2,3,4a,5,6,8,9,9a,9b-decahydrocyclopenta[f]chromen-7-one
CID 10998665

Frequently Asked Questions

What is the IUPAC name of 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (CID 154170132) is 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is CC(C)(C)[SiH2]OC(C)(C)C12CCC(=O)CC1C(O)CC1C3CCC(=O)C3(C)CCC12.
What is the InChIKey of 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is JKJNZNANLFEXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O4Si/c1-22(2,3)30-29-23(4,5)25-12-9-15(26)13-19(25)20(27)14-16-17-7-8-21(28)24(17,6)11-10-18(16)25/h16-20,27H,7-14,30H2,1-6H3.
What are the key properties of 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione?
10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 434.69 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-tert-butylsilyloxypropan-2-yl)-6-hydroxy-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 154170132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).