(E)-9-hydroxydec-2-enoic acid

C10H18O3 — CID 5312739

IUPAC(E)-9-hydroxydec-2-enoic acid
SMILESCC(O)CCCCC/C=C/C(=O)O
InChIInChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)/b8-6+
InChIKeyDZBLNYYGAKHAOJ-SOFGYWHQSA-N
MW186.25 g/mol
LogP1.96
Rot. Bonds7

About (E)-9-hydroxydec-2-enoic acid

(E)-9-hydroxydec-2-enoic acid (PubChem CID 5312739) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-9-hydroxydec-2-enoic acid.

Molecular Properties

Compound Name(E)-9-hydroxydec-2-enoic acid
PubChem CID5312739
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-9-hydroxydec-2-enoic acid
SMILESCC(O)CCCCC/C=C/C(=O)O
InChIInChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)/b8-6+
InChIKeyDZBLNYYGAKHAOJ-SOFGYWHQSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-9-hydroxydec-2-enoic 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 (E)-9-hydroxydec-2-enoic acid?
The IUPAC name of (E)-9-hydroxydec-2-enoic acid (CID 5312739) is (E)-9-hydroxydec-2-enoic acid.
What is the SMILES notation for (E)-9-hydroxydec-2-enoic acid?
The canonical SMILES for (E)-9-hydroxydec-2-enoic acid is CC(O)CCCCC/C=C/C(=O)O.
What is the InChIKey of (E)-9-hydroxydec-2-enoic acid?
The InChIKey is DZBLNYYGAKHAOJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)/b8-6+.
What are the key properties of (E)-9-hydroxydec-2-enoic acid?
(E)-9-hydroxydec-2-enoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-hydroxydec-2-enoic acid is sourced from PubChem (CID 5312739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).