(6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one

C14H22O2 — CID 171119971

IUPAC(6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one
SMILESCC[C@@H]1CC/C=C\C/C=C\CCCC(=O)O1
InChIInChI=1S/C14H22O2/c1-2-13-11-9-7-5-3-4-6-8-10-12-14(15)16-13/h4-7,13H,2-3,8-12H2,1H3/b6-4-,7-5-/t13-/m1/s1
InChIKeyYLRPLFAERBPPFP-MVSJEEPGSA-N
MW222.33 g/mol
LogP3.77
Rot. Bonds1

About (6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one

(6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one (PubChem CID 171119971) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one.

Molecular Properties

Compound Name(6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one
PubChem CID171119971
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one
SMILESCC[C@@H]1CC/C=C\C/C=C\CCCC(=O)O1
InChIInChI=1S/C14H22O2/c1-2-13-11-9-7-5-3-4-6-8-10-12-14(15)16-13/h4-7,13H,2-3,8-12H2,1H3/b6-4-,7-5-/t13-/m1/s1
InChIKeyYLRPLFAERBPPFP-MVSJEEPGSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one 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,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one?
The IUPAC name of (6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one (CID 171119971) is (6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one.
What is the SMILES notation for (6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one?
The canonical SMILES for (6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one is CC[C@@H]1CC/C=C\C/C=C\CCCC(=O)O1.
What is the InChIKey of (6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one?
The InChIKey is YLRPLFAERBPPFP-MVSJEEPGSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-13-11-9-7-5-3-4-6-8-10-12-14(15)16-13/h4-7,13H,2-3,8-12H2,1H3/b6-4-,7-5-/t13-/m1/s1.
What are the key properties of (6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one?
(6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one has a molecular weight of 222.33 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,13R)-13-ethyl-1-oxacyclotrideca-6,9-dien-2-one is sourced from PubChem (CID 171119971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).