(8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene

C18H24 — CID 154088130

IUPAC(8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
SMILESCC1C[C@H]2CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]2C1
InChIInChI=1S/C18H24/c1-12-10-14-7-9-16-15-5-3-2-4-13(15)6-8-17(16)18(14)11-12/h2-5,12,14,16-18H,6-11H2,1H3/t12?,14-,16-,17-,18-/m1/s1
InChIKeyBMSIUKPCYLBNJK-KKIBOFOTSA-N
MW240.39 g/mol
LogP4.79
Rot. Bonds

About (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene

(8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene (PubChem CID 154088130) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
PubChem CID154088130
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name(8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
SMILESCC1C[C@H]2CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]2C1
InChIInChI=1S/C18H24/c1-12-10-14-7-9-16-15-5-3-2-4-13(15)6-8-17(16)18(14)11-12/h2-5,12,14,16-18H,6-11H2,1H3/t12?,14-,16-,17-,18-/m1/s1
InChIKeyBMSIUKPCYLBNJK-KKIBOFOTSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene?
The IUPAC name of (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene (CID 154088130) is (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene.
What is the SMILES notation for (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene?
The canonical SMILES for (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene is CC1C[C@H]2CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]2C1.
What is the InChIKey of (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene?
The InChIKey is BMSIUKPCYLBNJK-KKIBOFOTSA-N. The full InChI is InChI=1S/C18H24/c1-12-10-14-7-9-16-15-5-3-2-4-13(15)6-8-17(16)18(14)11-12/h2-5,12,14,16-18H,6-11H2,1H3/t12?,14-,16-,17-,18-/m1/s1.
What are the key properties of (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene?
(8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene has a molecular weight of 240.39 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,13R,14R)-16-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 154088130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).