trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

C24H44O2Si2 — CID 91748445

IUPACtrimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
SMILESC[C@]12CCC3C(CC[C@@H]4C[C@H](O[Si](C)(C)C)CCC34)C1CC=C2O[Si](C)(C)C
InChIInChI=1S/C24H44O2Si2/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/h13,17-22H,8-12,14-16H2,1-7H3/t17-,18-,19?,20?,21?,22?,24+/m1/s1
InChIKeyWCQINPWVBRKWGZ-PUXNOHLASA-N
MW420.79 g/mol
LogP7.20
Rot. Bonds4

About trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (PubChem CID 91748445) has the molecular formula C24H44O2Si2 and a molecular weight of 420.79 g/mol. Its IUPAC name is trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
PubChem CID91748445
Molecular FormulaC24H44O2Si2
Molecular Weight420.79 g/mol
Exact Mass420.29
IUPAC Nametrimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
SMILESC[C@]12CCC3C(CC[C@@H]4C[C@H](O[Si](C)(C)C)CCC34)C1CC=C2O[Si](C)(C)C
InChIInChI=1S/C24H44O2Si2/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/h13,17-22H,8-12,14-16H2,1-7H3/t17-,18-,19?,20?,21?,22?,24+/m1/s1
InChIKeyWCQINPWVBRKWGZ-PUXNOHLASA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.79
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The IUPAC name of trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (CID 91748445) is trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is C[C@]12CCC3C(CC[C@@H]4C[C@H](O[Si](C)(C)C)CCC34)C1CC=C2O[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The InChIKey is WCQINPWVBRKWGZ-PUXNOHLASA-N. The full InChI is InChI=1S/C24H44O2Si2/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/h13,17-22H,8-12,14-16H2,1-7H3/t17-,18-,19?,20?,21?,22?,24+/m1/s1.
What are the key properties of trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane has a molecular weight of 420.79 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(3R,5R,13S)-13-methyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,10,11,12,14,15-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is sourced from PubChem (CID 91748445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).