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

C28H54O3Si3 — CID 91746951

IUPAC[(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CCC12
InChIInChI=1S/C28H54O3Si3/c1-27-17-16-21(29-32(3,4)5)18-20(27)12-13-22-23-14-15-25(31-34(9,10)11)28(23,2)19-24(26(22)27)30-33(6,7)8/h15,20-24,26H,12-14,16-19H2,1-11H3/t20?,21-,22?,23?,24?,26?,27+,28+/m1/s1
InChIKeyHTALMMXGRYNYNV-JLNZVSMWSA-N
MW523.00 g/mol
LogP8.42
Rot. Bonds6

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

[(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 91746951) has the molecular formula C28H54O3Si3 and a molecular weight of 523.00 g/mol. Its IUPAC name is [(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID91746951
Molecular FormulaC28H54O3Si3
Molecular Weight523.00 g/mol
Exact Mass522.34
IUPAC Name[(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESC[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CCC12
InChIInChI=1S/C28H54O3Si3/c1-27-17-16-21(29-32(3,4)5)18-20(27)12-13-22-23-14-15-25(31-34(9,10)11)28(23,2)19-24(26(22)27)30-33(6,7)8/h15,20-24,26H,12-14,16-19H2,1-11H3/t20?,21-,22?,23?,24?,26?,27+,28+/m1/s1
InChIKeyHTALMMXGRYNYNV-JLNZVSMWSA-N
XLogP8.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.00
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 91746951) is [(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is C[C@]12CC[C@@H](O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)C[C@]2(C)C(O[Si](C)(C)C)=CCC12.
What is the InChIKey of [(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is HTALMMXGRYNYNV-JLNZVSMWSA-N. The full InChI is InChI=1S/C28H54O3Si3/c1-27-17-16-21(29-32(3,4)5)18-20(27)12-13-22-23-14-15-25(31-34(9,10)11)28(23,2)19-24(26(22)27)30-33(6,7)8/h15,20-24,26H,12-14,16-19H2,1-11H3/t20?,21-,22?,23?,24?,26?,27+,28+/m1/s1.
What are the key properties of [(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 523.00 g/mol, XLogP of 8.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,10S,11S,13S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 91746951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).