trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

C24H42O2Si2 — CID 91752333

IUPACtrimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
SMILESCC12CCC3C4CC[C@H](O[Si](C)(C)C)CC4=CCC3C1CC=C2O[Si](C)(C)C
InChIInChI=1S/C24H42O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h8,13,18-22H,9-12,14-16H2,1-7H3/t18-,19?,20?,21?,22?,24?/m0/s1
InChIKeyGWACENSVOXNLGI-BTABBWLSSA-N
MW418.77 g/mol
LogP7.12
Rot. Bonds4

About trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (PubChem CID 91752333) has the molecular formula C24H42O2Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
PubChem CID91752333
Molecular FormulaC24H42O2Si2
Molecular Weight418.77 g/mol
Exact Mass418.27
IUPAC Nametrimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
SMILESCC12CCC3C4CC[C@H](O[Si](C)(C)C)CC4=CCC3C1CC=C2O[Si](C)(C)C
InChIInChI=1S/C24H42O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h8,13,18-22H,9-12,14-16H2,1-7H3/t18-,19?,20?,21?,22?,24?/m0/s1
InChIKeyGWACENSVOXNLGI-BTABBWLSSA-N
XLogP7.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 57.12
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The IUPAC name of trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (CID 91752333) is trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is CC12CCC3C4CC[C@H](O[Si](C)(C)C)CC4=CCC3C1CC=C2O[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The InChIKey is GWACENSVOXNLGI-BTABBWLSSA-N. The full InChI is InChI=1S/C24H42O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h8,13,18-22H,9-12,14-16H2,1-7H3/t18-,19?,20?,21?,22?,24?/m0/s1.
What are the key properties of trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane has a molecular weight of 418.77 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(3S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,10,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is sourced from PubChem (CID 91752333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).