10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

C24H40O2Si — CID 575932

IUPAC10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILESCC(O[Si](C)(C)C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C24H40O2Si/c1-16(26-27(4,5)6)20-9-10-21-19-8-7-17-15-18(25)11-13-23(17,2)22(19)12-14-24(20,21)3/h15-16,19-22H,7-14H2,1-6H3
InChIKeyXJUCFBORIYUVJT-UHFFFAOYSA-N
MW388.67 g/mol
LogP6.37
Rot. Bonds3

About 10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (PubChem CID 575932) has the molecular formula C24H40O2Si and a molecular weight of 388.67 g/mol. Its IUPAC name is 10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
PubChem CID575932
Molecular FormulaC24H40O2Si
Molecular Weight388.67 g/mol
Exact Mass388.28
IUPAC Name10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILESCC(O[Si](C)(C)C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C24H40O2Si/c1-16(26-27(4,5)6)20-9-10-21-19-8-7-17-15-18(25)11-13-23(17,2)22(19)12-14-24(20,21)3/h15-16,19-22H,7-14H2,1-6H3
InChIKeyXJUCFBORIYUVJT-UHFFFAOYSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.67
LogP ≤ 56.37
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 10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one?
The IUPAC name of 10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (CID 575932) is 10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
What is the SMILES notation for 10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one?
The canonical SMILES for 10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one is CC(O[Si](C)(C)C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.
What is the InChIKey of 10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one?
The InChIKey is XJUCFBORIYUVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2Si/c1-16(26-27(4,5)6)20-9-10-21-19-8-7-17-15-18(25)11-13-23(17,2)22(19)12-14-24(20,21)3/h15-16,19-22H,7-14H2,1-6H3.
What are the key properties of 10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one?
10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one has a molecular weight of 388.67 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyl-17-(1-trimethylsilyloxyethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 575932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).