(2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid

C17H24O4 — CID 11426344

IUPAC(2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid
SMILESC/C(=C/C(=O)O)CC/C=C\[C@@H](C)CC[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C17H24O4/c1-13(6-3-4-7-14(2)12-16(18)19)10-11-15-8-5-9-17(20)21-15/h3,5-6,9,12-13,15H,4,7-8,10-11H2,1-2H3,(H,18,19)/b6-3-,14-12-/t13-,15+/m1/s1
InChIKeyOHWFPMKLBOHSHY-WKTSBRCASA-N
MW292.38 g/mol
LogP3.64
Rot. Bonds8

About (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid

(2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid (PubChem CID 11426344) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid.

Molecular Properties

Compound Name(2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid
PubChem CID11426344
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid
SMILESC/C(=C/C(=O)O)CC/C=C\[C@@H](C)CC[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C17H24O4/c1-13(6-3-4-7-14(2)12-16(18)19)10-11-15-8-5-9-17(20)21-15/h3,5-6,9,12-13,15H,4,7-8,10-11H2,1-2H3,(H,18,19)/b6-3-,14-12-/t13-,15+/m1/s1
InChIKeyOHWFPMKLBOHSHY-WKTSBRCASA-N
XLogP3.64
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid 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 (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid?
The IUPAC name of (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid (CID 11426344) is (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid.
What is the SMILES notation for (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid?
The canonical SMILES for (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid is C/C(=C/C(=O)O)CC/C=C\[C@@H](C)CC[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid?
The InChIKey is OHWFPMKLBOHSHY-WKTSBRCASA-N. The full InChI is InChI=1S/C17H24O4/c1-13(6-3-4-7-14(2)12-16(18)19)10-11-15-8-5-9-17(20)21-15/h3,5-6,9,12-13,15H,4,7-8,10-11H2,1-2H3,(H,18,19)/b6-3-,14-12-/t13-,15+/m1/s1.
What are the key properties of (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid?
(2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z,8S)-3,8-dimethyl-10-[(2R)-6-oxo-2,3-dihydropyran-2-yl]deca-2,6-dienoic acid is sourced from PubChem (CID 11426344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).