[(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C25H44O2Si2 — CID 91749032

IUPAC[(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12CC[C@H](O[Si](C)(C)C)CC1=CCC1C2=CC[C@@]2(C)C1CC[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C25H44O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,14,19-21,23H,10-13,15-17H2,1-8H3/t19-,20?,21?,23-,24-,25-/m0/s1
InChIKeyGUZYQHLPCCWDQG-ZDDZWFTESA-N
MW432.80 g/mol
LogP7.31
Rot. Bonds4

About [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91749032) has the molecular formula C25H44O2Si2 and a molecular weight of 432.80 g/mol. Its IUPAC name is [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID91749032
Molecular FormulaC25H44O2Si2
Molecular Weight432.80 g/mol
Exact Mass432.29
IUPAC Name[(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12CC[C@H](O[Si](C)(C)C)CC1=CCC1C2=CC[C@@]2(C)C1CC[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C25H44O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,14,19-21,23H,10-13,15-17H2,1-8H3/t19-,20?,21?,23-,24-,25-/m0/s1
InChIKeyGUZYQHLPCCWDQG-ZDDZWFTESA-N
XLogP7.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.80
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane with MolForge

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Related Compounds

Cholest-5-ene, 3-((trimethylsilyl)oxy)-, (3beta)-
CID 102173
Silane, [[(3beta,17beta)-androst-5-ene-3,17-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl-
CID 22296982
3beta,17beta-Bis(trimethylsilyloxy)androst-5-ene
CID 14299564
3-[(Trimethylsilyl)oxy]ergost-5-ene, (3beta,24R)-
CID 22216479
[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tri(propan-2-yl)silane
CID 53306880
Trimethylsilyl cholesterol
CID 11633962
tert-butyl-[(2S)-2-[(2R,10S,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-3-yl]oxy-dimethylsilane
CID 173903418
3,17-Bis[(trimethylsilyl)oxy]androsta-3,5-diene
CID 520208
3,7,17-Trihydroxy-5-androstene, tris-TMS
CID 526026
17alpha-Trenbolone, 3-enol trimethylsilyl ether, 17-trimethylsilyl ether
CID 526216
3beta,17,21alpha-Tris(trimethylsiloxy)pregn-5-ene
CID 553619
Dehydroepiandrosterone, o,o'-bis(trimethylsilyl)-
CID 553969

Frequently Asked Questions

What is the IUPAC name of [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91749032) is [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is C[C@]12CC[C@H](O[Si](C)(C)C)CC1=CCC1C2=CC[C@@]2(C)C1CC[C@@H]2O[Si](C)(C)C.
What is the InChIKey of [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is GUZYQHLPCCWDQG-ZDDZWFTESA-N. The full InChI is InChI=1S/C25H44O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,14,19-21,23H,10-13,15-17H2,1-8H3/t19-,20?,21?,23-,24-,25-/m0/s1.
What are the key properties of [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 432.80 g/mol, XLogP of 7.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91749032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).