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

C22H38O2Si — CID 70318479

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

(3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 70318479) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

• Compound Name: (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• PubChem CID: 70318479
• Molecular Formula: C22H38O2Si
• Molecular Weight: 362.63 g/mol
• Exact Mass: 362.26
• IUPAC Name: (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• SMILES: C[C@]12CCC3C(CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C
• InChI: InChI=1S/C22H38O2Si/c1-21-12-10-16(23)14-15(21)6-7-17-18-8-9-20(24-25(3,4)5)22(18,2)13-11-19(17)21/h9,15-19,23H,6-8,10-14H2,1-5H3/t15-,16+,17?,18+,19?,21+,22+/m1/s1
• InChIKey: BCAZRLPRJXJUSC-CSDZMXTLSA-N
• XLogP: 5.74
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.63
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The IUPAC name of (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 70318479) is (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.

What is the SMILES notation for (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The canonical SMILES for (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol is C[C@]12CCC3C(CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2O[Si](C)(C)C.

What is the InChIKey of (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

The InChIKey is BCAZRLPRJXJUSC-CSDZMXTLSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-21-12-10-16(23)14-15(21)6-7-17-18-8-9-20(24-25(3,4)5)22(18,2)13-11-19(17)21/h9,15-19,23H,6-8,10-14H2,1-5H3/t15-,16+,17?,18+,19?,21+,22+/m1/s1.

What are the key properties of (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol?

(3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 362.63 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R,10S,13S,14S)-10,13-dimethyl-17-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 70318479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).