[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate

C27H45NO3Si — CID 154148511

IUPAC[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate
SMILESCCNC(=O)O[C@]1(CCO[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CCC=C[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C27H45NO3Si/c1-7-28-24(29)31-27(18-19-30-32(4,5)6)17-14-23-21-12-11-20-10-8-9-15-25(20,2)22(21)13-16-26(23,27)3/h9-10,15,21-23H,7-8,11-14,16-19H2,1-6H3,(H,28,29)/t21-,22+,23+,25+,26+,27+/m1/s1
InChIKeyAOAZTDMRAJEWAO-LJHIYBGHSA-N
MW459.75 g/mol
LogP6.84
Rot. Bonds6

About [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate

[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate (PubChem CID 154148511) has the molecular formula C27H45NO3Si and a molecular weight of 459.75 g/mol. Its IUPAC name is [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate
PubChem CID154148511
Molecular FormulaC27H45NO3Si
Molecular Weight459.75 g/mol
Exact Mass459.32
IUPAC Name[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate
SMILESCCNC(=O)O[C@]1(CCO[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CCC=C[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C27H45NO3Si/c1-7-28-24(29)31-27(18-19-30-32(4,5)6)17-14-23-21-12-11-20-10-8-9-15-25(20,2)22(21)13-16-26(23,27)3/h9-10,15,21-23H,7-8,11-14,16-19H2,1-6H3,(H,28,29)/t21-,22+,23+,25+,26+,27+/m1/s1
InChIKeyAOAZTDMRAJEWAO-LJHIYBGHSA-N
XLogP6.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.75
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate 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

(8R,9S,10R,13S,14S)-10,13-dimethyl-17-propanoyloxy-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid
CID 142778436
[(10R,13S,17S)-17-ethyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] N-pentylcarbamate
CID 68718237
[(10R,13S,17S)-17-ethyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] N-prop-2-enylcarbamate
CID 68733014
[(10R,13S,17S)-17-ethyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] N-propan-2-ylcarbamate
CID 68718098
cyanomethyl (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylate
CID 68899014
2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]propanoic acid
CID 154250262
(8S,9S,10R,11S,13S,14S,17R)-17-ethyl-10,13-dimethyl-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-11,17-diol
CID 54045282
(8S,9S,10R,11S,13S,14S,17S)-17-(2-hydroxyethyl)-10,13-dimethyl-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-11,17-diol
CID 141124295
15-but-3-enyl-2,16-dimethyl-15-(3-methylbut-1-en-2-yl)tetracyclo[9.7.0.02,8.012,16]octadeca-3,7-diene
CID 165145112
[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
CID 141374104
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene
CID 22800032
17-but-3-enyl-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
CID 165145203

Frequently Asked Questions

What is the IUPAC name of [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate?
The IUPAC name of [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate (CID 154148511) is [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate.
What is the SMILES notation for [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate?
The canonical SMILES for [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate is CCNC(=O)O[C@]1(CCO[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CCC=C[C@]4(C)[C@H]3CC[C@@]21C.
What is the InChIKey of [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate?
The InChIKey is AOAZTDMRAJEWAO-LJHIYBGHSA-N. The full InChI is InChI=1S/C27H45NO3Si/c1-7-28-24(29)31-27(18-19-30-32(4,5)6)17-14-23-21-12-11-20-10-8-9-15-25(20,2)22(21)13-16-26(23,27)3/h9-10,15,21-23H,7-8,11-14,16-19H2,1-6H3,(H,28,29)/t21-,22+,23+,25+,26+,27+/m1/s1.
What are the key properties of [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate?
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate has a molecular weight of 459.75 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-trimethylsilyloxyethyl)-3,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate is sourced from PubChem (CID 154148511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).