[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C33H64O4Si4 — CID 57373132

IUPAC[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(O[Si](C)(C)C)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C)=C[C@@]21C
InChIInChI=1S/C33H64O4Si4/c1-24(34-38(4,5)6)33(37-41(13,14)15)21-19-28-27-17-16-25-22-26(35-39(7,8)9)18-20-31(25,2)30(27)29(23-32(28,33)3)36-40(10,11)12/h16,23-24,26-28,30H,17-22H2,1-15H3/t24?,26?,27-,28-,30+,31-,32-,33-/m0/s1
InChIKeyYUNWTMIMEHGHGY-UXQUAQDNSA-N
MW637.22 g/mol
LogP9.95
Rot. Bonds9

About [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 57373132) has the molecular formula C33H64O4Si4 and a molecular weight of 637.22 g/mol. Its IUPAC name is [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID57373132
Molecular FormulaC33H64O4Si4
Molecular Weight637.22 g/mol
Exact Mass636.39
IUPAC Name[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(O[Si](C)(C)C)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C)=C[C@@]21C
InChIInChI=1S/C33H64O4Si4/c1-24(34-38(4,5)6)33(37-41(13,14)15)21-19-28-27-17-16-25-22-26(35-39(7,8)9)18-20-31(25,2)30(27)29(23-32(28,33)3)36-40(10,11)12/h16,23-24,26-28,30H,17-22H2,1-15H3/t24?,26?,27-,28-,30+,31-,32-,33-/m0/s1
InChIKeyYUNWTMIMEHGHGY-UXQUAQDNSA-N
XLogP9.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.22
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane with MolForge

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Related Compounds

[(3S,8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-[(1S)-1-trimethylsilyloxyethyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 22214180
1-[10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanol
CID 634803
(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 91738711
trimethyl-[[(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 22214247
(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 14151140
[(10R,13S,17S)-17-[1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 91749403
[(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 91739846
[(10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 91749391
10,13-dimethyl-3,16-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 526066
1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 11036531
10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
CID 71436105
(2R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-ol
CID 100979276

Frequently Asked Questions

What is the IUPAC name of [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 57373132) is [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is CC(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(O[Si](C)(C)C)CC[C@]4(C)[C@H]3C(O[Si](C)(C)C)=C[C@@]21C.
What is the InChIKey of [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is YUNWTMIMEHGHGY-UXQUAQDNSA-N. The full InChI is InChI=1S/C33H64O4Si4/c1-24(34-38(4,5)6)33(37-41(13,14)15)21-19-28-27-17-16-25-22-26(35-39(7,8)9)18-20-31(25,2)30(27)29(23-32(28,33)3)36-40(10,11)12/h16,23-24,26-28,30H,17-22H2,1-15H3/t24?,26?,27-,28-,30+,31-,32-,33-/m0/s1.
What are the key properties of [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 637.22 g/mol, XLogP of 9.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-(1-trimethylsilyloxyethyl)-1,2,3,4,7,8,9,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 57373132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).