[(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C28H56O3Si3 — CID 6431622

IUPAC[(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12CCC3C(CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]34C)C1C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C28H56O3Si3/c1-27-16-14-21(29-32(3,4)5)18-20(27)12-13-22-23(27)15-17-28(2)24(22)19-25(30-33(6,7)8)26(28)31-34(9,10)11/h20-26H,12-19H2,1-11H3/t20-,21-,22?,23?,24?,25+,26-,27-,28-/m0/s1
InChIKeyRQCSPBXXGJRUKU-GJQXRMMLSA-N
MW525.01 g/mol
LogP8.30
Rot. Bonds6

About [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 6431622) has the molecular formula C28H56O3Si3 and a molecular weight of 525.01 g/mol. Its IUPAC name is [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID6431622
Molecular FormulaC28H56O3Si3
Molecular Weight525.01 g/mol
Exact Mass524.35
IUPAC Name[(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12CCC3C(CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]34C)C1C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C28H56O3Si3/c1-27-16-14-21(29-32(3,4)5)18-20(27)12-13-22-23(27)15-17-28(2)24(22)19-25(30-33(6,7)8)26(28)31-34(9,10)11/h20-26H,12-19H2,1-11H3/t20-,21-,22?,23?,24?,25+,26-,27-,28-/m0/s1
InChIKeyRQCSPBXXGJRUKU-GJQXRMMLSA-N
XLogP8.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.01
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5S,10S,13S,17S)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy-trimethylsilane
CID 91750911
[(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 14454634
[(8R,9S,10S,13S,14S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 22211578
[(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 14454630
[(3R,5R,10S,13R,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 91750607
trimethyl-[[(8R,9S,10S,13S,14S)-10,13,17-trimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 57372677
trimethyl-[[(3R,5R,17R)-10,13,17-trimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 6429855
[(3R,5S)-10,13-dimethyl-17-[(1S)-1-trimethylsilyloxyethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 6430190
[(3S,5S,10S,13S,17S)-10,13-dimethyl-17-[(1S)-1-trimethylsilyloxyethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
CID 91749002
[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 14299559
methyl (3S,5S,10S,13S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
CID 91749355
1-[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-methoxyethanimine
CID 91746637

Frequently Asked Questions

What is the IUPAC name of [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 6431622) is [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is C[C@]12CCC3C(CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]34C)C1C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C.
What is the InChIKey of [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is RQCSPBXXGJRUKU-GJQXRMMLSA-N. The full InChI is InChI=1S/C28H56O3Si3/c1-27-16-14-21(29-32(3,4)5)18-20(27)12-13-22-23(27)15-17-28(2)24(22)19-25(30-33(6,7)8)26(28)31-34(9,10)11/h20-26H,12-19H2,1-11H3/t20-,21-,22?,23?,24?,25+,26-,27-,28-/m0/s1.
What are the key properties of [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 525.01 g/mol, XLogP of 8.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S,10S,13S,16R,17R)-10,13-dimethyl-3,16-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 6431622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).