6-hydroxyhept-4-enoic acid

C7H12O3 — CID 71333775

IUPAC6-hydroxyhept-4-enoic acid
SMILESCC(O)C=CCCC(=O)O
InChIInChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2,4,6,8H,3,5H2,1H3,(H,9,10)
InChIKeyVPUPJGTWCSYLOM-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.79
Rot. Bonds4

About 6-hydroxyhept-4-enoic acid

6-hydroxyhept-4-enoic acid (PubChem CID 71333775) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 6-hydroxyhept-4-enoic acid.

Molecular Properties

Compound Name6-hydroxyhept-4-enoic acid
PubChem CID71333775
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name6-hydroxyhept-4-enoic acid
SMILESCC(O)C=CCCC(=O)O
InChIInChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2,4,6,8H,3,5H2,1H3,(H,9,10)
InChIKeyVPUPJGTWCSYLOM-UHFFFAOYSA-N
XLogP0.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhept-4-enoic acid?
The IUPAC name of 6-hydroxyhept-4-enoic acid (CID 71333775) is 6-hydroxyhept-4-enoic acid.
What is the SMILES notation for 6-hydroxyhept-4-enoic acid?
The canonical SMILES for 6-hydroxyhept-4-enoic acid is CC(O)C=CCCC(=O)O.
What is the InChIKey of 6-hydroxyhept-4-enoic acid?
The InChIKey is VPUPJGTWCSYLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2,4,6,8H,3,5H2,1H3,(H,9,10).
What are the key properties of 6-hydroxyhept-4-enoic acid?
6-hydroxyhept-4-enoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhept-4-enoic acid is sourced from PubChem (CID 71333775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).