[(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane

C33H60O3Si — CID 141272310

IUPAC[(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane
SMILESCCO[Si](CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C=CCC[C@]4(C)[C@H]3CC[C@]12C)(OCC)OCC
InChIInChI=1S/C33H60O3Si/c1-8-34-37(35-9-2,36-10-3)24-25(4)14-13-15-26(5)29-19-20-30-28-18-17-27-16-11-12-22-32(27,6)31(28)21-23-33(29,30)7/h11,16,25-31H,8-10,12-15,17-24H2,1-7H3/t25?,26-,27?,28+,29-,30+,31+,32+,33-/m1/s1
InChIKeyTWYLPHSVZUZZDD-GKUPZEQZSA-N
MW532.93 g/mol
LogP9.30
Rot. Bonds13

About [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane

[(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane (PubChem CID 141272310) has the molecular formula C33H60O3Si and a molecular weight of 532.93 g/mol. Its IUPAC name is [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane.

Molecular Properties

Compound Name[(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane
PubChem CID141272310
Molecular FormulaC33H60O3Si
Molecular Weight532.93 g/mol
Exact Mass532.43
IUPAC Name[(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane
SMILESCCO[Si](CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C=CCC[C@]4(C)[C@H]3CC[C@]12C)(OCC)OCC
InChIInChI=1S/C33H60O3Si/c1-8-34-37(35-9-2,36-10-3)24-25(4)14-13-15-26(5)29-19-20-30-28-18-17-27-16-11-12-22-32(27,6)31(28)21-23-33(29,30)7/h11,16,25-31H,8-10,12-15,17-24H2,1-7H3/t25?,26-,27?,28+,29-,30+,31+,32+,33-/m1/s1
InChIKeyTWYLPHSVZUZZDD-GKUPZEQZSA-N
XLogP9.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.93
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane with MolForge

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Related Compounds

17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 155886227
2,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 633430
[(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-3-yl]-triethoxysilane
CID 141272337
4,10,13-trimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 633475
(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene
CID 99571098
(3S,4S,5R,8R,9R,10R,13R,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
CID 124920057
(4S,5R)-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]phenanthrene-3,4-diol
CID 45044284
(8R,9S,10S,13S,14S,17S)-17-(methoxymethoxy)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 134840723
[(3S,5S,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-3-yl]oxy-triethylsilane
CID 10983949
(1R,3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]isoselenochromene
CID 14541623
(10S,13R)-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]phenanthrene;2,6,10,15,19,23-hexamethyltetracosane
CID 167615912
(3S,5R,8R,9S,10S,13R,14S,17R)-3-methoxy-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]phenanthrene
CID 129265240

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane?
The IUPAC name of [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane (CID 141272310) is [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane.
What is the SMILES notation for [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane?
The canonical SMILES for [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane is CCO[Si](CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C=CCC[C@]4(C)[C@H]3CC[C@]12C)(OCC)OCC.
What is the InChIKey of [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane?
The InChIKey is TWYLPHSVZUZZDD-GKUPZEQZSA-N. The full InChI is InChI=1S/C33H60O3Si/c1-8-34-37(35-9-2,36-10-3)24-25(4)14-13-15-26(5)29-19-20-30-28-18-17-27-16-11-12-22-32(27,6)31(28)21-23-33(29,30)7/h11,16,25-31H,8-10,12-15,17-24H2,1-7H3/t25?,26-,27?,28+,29-,30+,31+,32+,33-/m1/s1.
What are the key properties of [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane?
[(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane has a molecular weight of 532.93 g/mol, XLogP of 9.30, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[(8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-triethoxysilane is sourced from PubChem (CID 141272310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).