(5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one

C16H22O2 — CID 10610453

IUPAC(5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one
SMILESC[C@H]1/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O1
InChIInChI=1S/C16H22O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h2,4-5,7-8,10-11,13,15H,3,6,9,12,14H2,1H3/b4-2-,7-5-,10-8-,13-11-/t15-/m0/s1
InChIKeyDDYJELFWYWXJTE-ZIPUTLTESA-N
MW246.35 g/mol
LogP4.11
Rot. Bonds

About (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one

(5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one (PubChem CID 10610453) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one
PubChem CID10610453
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one
SMILESC[C@H]1/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O1
InChIInChI=1S/C16H22O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h2,4-5,7-8,10-11,13,15H,3,6,9,12,14H2,1H3/b4-2-,7-5-,10-8-,13-11-/t15-/m0/s1
InChIKeyDDYJELFWYWXJTE-ZIPUTLTESA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-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 (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one?
The IUPAC name of (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one (CID 10610453) is (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one.
What is the SMILES notation for (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one?
The canonical SMILES for (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one is C[C@H]1/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O1.
What is the InChIKey of (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one?
The InChIKey is DDYJELFWYWXJTE-ZIPUTLTESA-N. The full InChI is InChI=1S/C16H22O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h2,4-5,7-8,10-11,13,15H,3,6,9,12,14H2,1H3/b4-2-,7-5-,10-8-,13-11-/t15-/m0/s1.
What are the key properties of (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one?
(5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one has a molecular weight of 246.35 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,16S)-16-methyl-1-oxacyclohexadeca-5,8,11,14-tetraen-2-one is sourced from PubChem (CID 10610453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).