[(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane

C32H56OSi — CID 59761007

IUPAC[(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC[C@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C32H56OSi/c1-11-24(8)28-14-15-29-27-13-12-25-20-26(33-34(21(2)3,22(4)5)23(6)7)16-18-31(25,9)30(27)17-19-32(28,29)10/h12-13,21-24,26,28-30H,11,14-20H2,1-10H3/t24-,26-,28+,29-,30-,31-,32+/m0/s1
InChIKeyQMLPIPVSPBTQJZ-VBNCKUHRSA-N
MW484.89 g/mol
LogP10.09
Rot. Bonds7

About [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane

[(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 59761007) has the molecular formula C32H56OSi and a molecular weight of 484.89 g/mol. Its IUPAC name is [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID59761007
Molecular FormulaC32H56OSi
Molecular Weight484.89 g/mol
Exact Mass484.41
IUPAC Name[(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC[C@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C32H56OSi/c1-11-24(8)28-14-15-29-27-13-12-25-20-26(33-34(21(2)3,22(4)5)23(6)7)16-18-31(25,9)30(27)17-19-32(28,29)10/h12-13,21-24,26,28-30H,11,14-20H2,1-10H3/t24-,26-,28+,29-,30-,31-,32+/m0/s1
InChIKeyQMLPIPVSPBTQJZ-VBNCKUHRSA-N
XLogP10.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.89
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

2-[(3S,10R,13R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propan-1-ol
CID 164929820
(3R,6R)-6-[(3S,9S,10R,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
CID 11124296
(6R)-6-[(3S,10R,13R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-2-ol
CID 164929826
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CID 167996389
[(3R,9S,10R,13S,14S,17S)-17-[(2S,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 125031969
(3S,9S,10R,13R,14R,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 67609961
tert-butyl-[[(3S,9S,10R,13R,14R,17R)-17-[(2R)-but-3-yn-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
CID 89249829
[(3R,9S,10S,13S,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 125031410
(9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-4-methylpentan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 54331810
[(3S,9S,10R,13S,14R,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 10970391
(9S,14R)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 156895362
3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 176928958

Frequently Asked Questions

What is the IUPAC name of [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane (CID 59761007) is [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane is CC[C@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is QMLPIPVSPBTQJZ-VBNCKUHRSA-N. The full InChI is InChI=1S/C32H56OSi/c1-11-24(8)28-14-15-29-27-13-12-25-20-26(33-34(21(2)3,22(4)5)23(6)7)16-18-31(25,9)30(27)17-19-32(28,29)10/h12-13,21-24,26,28-30H,11,14-20H2,1-10H3/t24-,26-,28+,29-,30-,31-,32+/m0/s1.
What are the key properties of [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane?
[(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 484.89 g/mol, XLogP of 10.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,9S,10R,13R,14R,17R)-17-[(2S)-butan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 59761007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).