(4E,6E)-3-hydroxydeca-4,6-dienoate

C10H15O3- — CID 91972206

IUPAC(4E,6E)-3-hydroxydeca-4,6-dienoate
SMILESCCC/C=C/C=C/C(O)CC(=O)[O-]
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h4-7,9,11H,2-3,8H2,1H3,(H,12,13)/p-1/b5-4+,7-6+
InChIKeyPHDSHECSYICDQB-YTXTXJHMSA-M
MW183.23 g/mol
LogP0.40
Rot. Bonds6

About (4E,6E)-3-hydroxydeca-4,6-dienoate

(4E,6E)-3-hydroxydeca-4,6-dienoate (PubChem CID 91972206) has the molecular formula C10H15O3- and a molecular weight of 183.23 g/mol. Its IUPAC name is (4E,6E)-3-hydroxydeca-4,6-dienoate.

Molecular Properties

Compound Name(4E,6E)-3-hydroxydeca-4,6-dienoate
PubChem CID91972206
Molecular FormulaC10H15O3-
Molecular Weight183.23 g/mol
Exact Mass183.10
IUPAC Name(4E,6E)-3-hydroxydeca-4,6-dienoate
SMILESCCC/C=C/C=C/C(O)CC(=O)[O-]
InChIInChI=1S/C10H16O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h4-7,9,11H,2-3,8H2,1H3,(H,12,13)/p-1/b5-4+,7-6+
InChIKeyPHDSHECSYICDQB-YTXTXJHMSA-M
XLogP0.40
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E,6E)-3-hydroxydeca-4,6-dienoate 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 (4E,6E)-3-hydroxydeca-4,6-dienoate?
The IUPAC name of (4E,6E)-3-hydroxydeca-4,6-dienoate (CID 91972206) is (4E,6E)-3-hydroxydeca-4,6-dienoate.
What is the SMILES notation for (4E,6E)-3-hydroxydeca-4,6-dienoate?
The canonical SMILES for (4E,6E)-3-hydroxydeca-4,6-dienoate is CCC/C=C/C=C/C(O)CC(=O)[O-].
What is the InChIKey of (4E,6E)-3-hydroxydeca-4,6-dienoate?
The InChIKey is PHDSHECSYICDQB-YTXTXJHMSA-M. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h4-7,9,11H,2-3,8H2,1H3,(H,12,13)/p-1/b5-4+,7-6+.
What are the key properties of (4E,6E)-3-hydroxydeca-4,6-dienoate?
(4E,6E)-3-hydroxydeca-4,6-dienoate has a molecular weight of 183.23 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-3-hydroxydeca-4,6-dienoate is sourced from PubChem (CID 91972206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).