(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

C20H30 — CID 54092351

IUPAC(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
SMILESCC[C@H]1CC[C@H]2[C@@H]3C=CC4=CCCC[C@@H]4[C@H]3CC[C@]12C
InChIInChI=1S/C20H30/c1-3-15-9-11-19-18-10-8-14-6-4-5-7-16(14)17(18)12-13-20(15,19)2/h6,8,10,15-19H,3-5,7,9,11-13H2,1-2H3/t15-,16-,17+,18+,19-,20+/m0/s1
InChIKeyMUSZXAWANRPMFX-YDETXVTLSA-N
MW270.46 g/mol
LogP5.75
Rot. Bonds1

About (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

(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 (PubChem CID 54092351) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID54092351
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name(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
SMILESCC[C@H]1CC[C@H]2[C@@H]3C=CC4=CCCC[C@@H]4[C@H]3CC[C@]12C
InChIInChI=1S/C20H30/c1-3-15-9-11-19-18-10-8-14-6-4-5-7-16(14)17(18)12-13-20(15,19)2/h6,8,10,15-19H,3-5,7,9,11-13H2,1-2H3/t15-,16-,17+,18+,19-,20+/m0/s1
InChIKeyMUSZXAWANRPMFX-YDETXVTLSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@H]1CC[C@H]2[C@@H]3C=CC4=CCCC[C@@H]4[C@H]3CC[C@]12C.
What is the InChIKey of (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?
The InChIKey is MUSZXAWANRPMFX-YDETXVTLSA-N. The full InChI is InChI=1S/C20H30/c1-3-15-9-11-19-18-10-8-14-6-4-5-7-16(14)17(18)12-13-20(15,19)2/h6,8,10,15-19H,3-5,7,9,11-13H2,1-2H3/t15-,16-,17+,18+,19-,20+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 270.46 g/mol, XLogP of 5.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 54092351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).