[(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane

C21H32OSi — CID 123198952

IUPAC[(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane
SMILESCC[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[SiH3])=CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C21H32OSi/c1-4-14-6-8-18-17-7-5-15-13-16(22-23)9-11-21(15,3)19(17)10-12-20(14,18)2/h5,7,9,13-14,17-19H,4,6,8,10-12H2,1-3,23H3/t14-,17-,18-,19-,20+,21-/m0/s1
InChIKeyYSELUERKXBYQOQ-NWSAAYAGSA-N
MW328.57 g/mol
LogP4.54
Rot. Bonds2

About [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane

[(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane (PubChem CID 123198952) has the molecular formula C21H32OSi and a molecular weight of 328.57 g/mol. Its IUPAC name is [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane.

Molecular Properties

Compound Name[(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane
PubChem CID123198952
Molecular FormulaC21H32OSi
Molecular Weight328.57 g/mol
Exact Mass328.22
IUPAC Name[(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane
SMILESCC[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[SiH3])=CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C21H32OSi/c1-4-14-6-8-18-17-7-5-15-13-16(22-23)9-11-21(15,3)19(17)10-12-20(14,18)2/h5,7,9,13-14,17-19H,4,6,8,10-12H2,1-3,23H3/t14-,17-,18-,19-,20+,21-/m0/s1
InChIKeyYSELUERKXBYQOQ-NWSAAYAGSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane with MolForge

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Related Compounds

(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 70539041
(8S,9S,10R,13R,14S,17R)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
CID 154411566
(8R,9S,10R,13R,14S,17S)-17-ethyl-13-methyl-1,2,3,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 54092351
ethane;10,13,17-trimethyl-3-methylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 145295115
(8S,9S,10R,13R,14S,17S)-17-ethyl-6-fluoro-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 163515101
(1S,8R,9S,10R,13S,14S)-1-ethyl-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 54474127
17-ethyl-13-methyl-2,8,9,10,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 177036163
(10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) propanoate
CID 14333868
(8S,9S,10R,13R,14S,17S)-17-ethyl-3-methoxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
CID 54044201
actinium;17-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 59877657
(8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene
CID 11492722
methyl (8S,9R,10R,13S,14S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylate
CID 67859726

Frequently Asked Questions

What is the IUPAC name of [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane?
The IUPAC name of [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane (CID 123198952) is [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane.
What is the SMILES notation for [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane?
The canonical SMILES for [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane is CC[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[SiH3])=CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane?
The InChIKey is YSELUERKXBYQOQ-NWSAAYAGSA-N. The full InChI is InChI=1S/C21H32OSi/c1-4-14-6-8-18-17-7-5-15-13-16(22-23)9-11-21(15,3)19(17)10-12-20(14,18)2/h5,7,9,13-14,17-19H,4,6,8,10-12H2,1-3,23H3/t14-,17-,18-,19-,20+,21-/m0/s1.
What are the key properties of [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane?
[(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane has a molecular weight of 328.57 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysilane is sourced from PubChem (CID 123198952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).