(6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione

C15H16O2 — CID 135038227

IUPAC(6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione
SMILESO=C1C2C/C=C\CC3C(=O)C4C1[C@H]1C[C@@H]4C3C21
InChIInChI=1S/C15H16O2/c16-14-6-3-1-2-4-7-11-9-5-8(10(6)11)12(14)13(9)15(7)17/h1-2,6-13H,3-5H2/b2-1-/t6?,7?,8-,9+,10?,11?,12?,13?
InChIKeyYJVFZDQVYGVJEF-YCCQNCRFSA-N
MW228.29 g/mol
LogP1.85
Rot. Bonds

About (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione

(6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione (PubChem CID 135038227) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione.

Molecular Properties

Compound Name(6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione
PubChem CID135038227
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione
SMILESO=C1C2C/C=C\CC3C(=O)C4C1[C@H]1C[C@@H]4C3C21
InChIInChI=1S/C15H16O2/c16-14-6-3-1-2-4-7-11-9-5-8(10(6)11)12(14)13(9)15(7)17/h1-2,6-13H,3-5H2/b2-1-/t6?,7?,8-,9+,10?,11?,12?,13?
InChIKeyYJVFZDQVYGVJEF-YCCQNCRFSA-N
XLogP1.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione 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 (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione?
The IUPAC name of (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione (CID 135038227) is (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione.
What is the SMILES notation for (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione?
The canonical SMILES for (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione is O=C1C2C/C=C\CC3C(=O)C4C1[C@H]1C[C@@H]4C3C21.
What is the InChIKey of (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione?
The InChIKey is YJVFZDQVYGVJEF-YCCQNCRFSA-N. The full InChI is InChI=1S/C15H16O2/c16-14-6-3-1-2-4-7-11-9-5-8(10(6)11)12(14)13(9)15(7)17/h1-2,6-13H,3-5H2/b2-1-/t6?,7?,8-,9+,10?,11?,12?,13?.
What are the key properties of (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione?
(6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione has a molecular weight of 228.29 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,12S,14R)-pentacyclo[7.5.1.02,12.04,11.010,14]pentadec-6-ene-3,15-dione is sourced from PubChem (CID 135038227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).