(4E,6E)-3-hydroxydeca-4,6-dienoic acid

C10H16O3 — CID 91972205

IUPAC(4E,6E)-3-hydroxydeca-4,6-dienoic acid
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)/b5-4+,7-6+
InChIKeyPHDSHECSYICDQB-YTXTXJHMSA-N
MW184.24 g/mol
LogP1.73
Rot. Bonds6

About (4E,6E)-3-hydroxydeca-4,6-dienoic acid

(4E,6E)-3-hydroxydeca-4,6-dienoic acid (PubChem CID 91972205) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (4E,6E)-3-hydroxydeca-4,6-dienoic acid.

Molecular Properties

Compound Name(4E,6E)-3-hydroxydeca-4,6-dienoic acid
PubChem CID91972205
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(4E,6E)-3-hydroxydeca-4,6-dienoic acid
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)/b5-4+,7-6+
InChIKeyPHDSHECSYICDQB-YTXTXJHMSA-N
XLogP1.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-3-hydroxydeca-4,6-dienoic acid?
The IUPAC name of (4E,6E)-3-hydroxydeca-4,6-dienoic acid (CID 91972205) is (4E,6E)-3-hydroxydeca-4,6-dienoic acid.
What is the SMILES notation for (4E,6E)-3-hydroxydeca-4,6-dienoic acid?
The canonical SMILES for (4E,6E)-3-hydroxydeca-4,6-dienoic acid is CCC/C=C/C=C/C(O)CC(=O)O.
What is the InChIKey of (4E,6E)-3-hydroxydeca-4,6-dienoic acid?
The InChIKey is PHDSHECSYICDQB-YTXTXJHMSA-N. 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)/b5-4+,7-6+.
What are the key properties of (4E,6E)-3-hydroxydeca-4,6-dienoic acid?
(4E,6E)-3-hydroxydeca-4,6-dienoic acid has a molecular weight of 184.24 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-3-hydroxydeca-4,6-dienoic acid is sourced from PubChem (CID 91972205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).