(8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

C19H28 — CID 23599707

IUPAC(8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
SMILESC[C@]12CCCCC1=CC[C@@H]1C2=CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C19H28/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h8,10,15-16H,3-7,9,11-13H2,1-2H3/t15-,16-,18-,19-/m0/s1
InChIKeyVWFCWHWCCOZKJZ-CAMMJAKZSA-N
MW256.43 g/mol
LogP5.65
Rot. Bonds

About (8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

(8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 23599707) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is (8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
PubChem CID23599707
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name(8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
SMILESC[C@]12CCCCC1=CC[C@@H]1C2=CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C19H28/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h8,10,15-16H,3-7,9,11-13H2,1-2H3/t15-,16-,18-,19-/m0/s1
InChIKeyVWFCWHWCCOZKJZ-CAMMJAKZSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.65
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 (8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of (8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene (CID 23599707) is (8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for (8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for (8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene is C[C@]12CCCCC1=CC[C@@H]1C2=CC[C@]2(C)CCC[C@@H]12.
What is the InChIKey of (8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is VWFCWHWCCOZKJZ-CAMMJAKZSA-N. The full InChI is InChI=1S/C19H28/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h8,10,15-16H,3-7,9,11-13H2,1-2H3/t15-,16-,18-,19-/m0/s1.
What are the key properties of (8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
(8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 256.43 g/mol, XLogP of 5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,10S,13S,14S)-10,13-dimethyl-2,3,4,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 23599707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).