(10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene

C20H30 — CID 91494739

IUPAC(10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene
SMILESCC1CC2CCC=C[C@]2(C)C2=C1[C@@H]1CCC[C@@]1(C)CC2
InChIInChI=1S/C20H30/c1-14-13-15-7-4-5-11-20(15,3)17-9-12-19(2)10-6-8-16(19)18(14)17/h5,11,14-16H,4,6-10,12-13H2,1-3H3/t14?,15?,16-,19-,20-/m0/s1
InChIKeyFNFSHIBFLVMVND-AJHRRDMJSA-N
MW270.46 g/mol
LogP5.90
Rot. Bonds

About (10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene

(10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene (PubChem CID 91494739) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is (10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene
PubChem CID91494739
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name(10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene
SMILESCC1CC2CCC=C[C@]2(C)C2=C1[C@@H]1CCC[C@@]1(C)CC2
InChIInChI=1S/C20H30/c1-14-13-15-7-4-5-11-20(15,3)17-9-12-19(2)10-6-8-16(19)18(14)17/h5,11,14-16H,4,6-10,12-13H2,1-3H3/t14?,15?,16-,19-,20-/m0/s1
InChIKeyFNFSHIBFLVMVND-AJHRRDMJSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene?
The IUPAC name of (10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene (CID 91494739) is (10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene.
What is the SMILES notation for (10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene?
The canonical SMILES for (10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene is CC1CC2CCC=C[C@]2(C)C2=C1[C@@H]1CCC[C@@]1(C)CC2.
What is the InChIKey of (10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene?
The InChIKey is FNFSHIBFLVMVND-AJHRRDMJSA-N. The full InChI is InChI=1S/C20H30/c1-14-13-15-7-4-5-11-20(15,3)17-9-12-19(2)10-6-8-16(19)18(14)17/h5,11,14-16H,4,6-10,12-13H2,1-3H3/t14?,15?,16-,19-,20-/m0/s1.
What are the key properties of (10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene?
(10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene has a molecular weight of 270.46 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,13S,14R)-7,10,13-trimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 91494739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).