4-hydroxyhept-3-enoic acid

C7H12O3 — CID 88690122

IUPAC4-hydroxyhept-3-enoic acid
SMILESCCCC(O)=CCC(=O)O
InChIInChI=1S/C7H12O3/c1-2-3-6(8)4-5-7(9)10/h4,8H,2-3,5H2,1H3,(H,9,10)
InChIKeyZUEQUQDLJJLATP-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.70
Rot. Bonds4

About 4-hydroxyhept-3-enoic acid

4-hydroxyhept-3-enoic acid (PubChem CID 88690122) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-hydroxyhept-3-enoic acid.

Molecular Properties

Compound Name4-hydroxyhept-3-enoic acid
PubChem CID88690122
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name4-hydroxyhept-3-enoic acid
SMILESCCCC(O)=CCC(=O)O
InChIInChI=1S/C7H12O3/c1-2-3-6(8)4-5-7(9)10/h4,8H,2-3,5H2,1H3,(H,9,10)
InChIKeyZUEQUQDLJJLATP-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-hydroxynon-3-enoic acid
CID 74031263
4-hydroxyicos-3-enoic acid
CID 88697964
(Z)-3-hydroxyhex-2-enoic acid
CID 54724955
2-octylpent-2-enedioic acid
CID 78151404
4,5-dimethylocta-3,5-dienedioic acid
CID 57299437
(E)-4-methylhex-3-enoic acid
CID 14197237
(Z)-4-methylhex-3-enoic acid
CID 14197236
CID 88693438
CID 88693438
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyhept-3-enoic acid?
The IUPAC name of 4-hydroxyhept-3-enoic acid (CID 88690122) is 4-hydroxyhept-3-enoic acid.
What is the SMILES notation for 4-hydroxyhept-3-enoic acid?
The canonical SMILES for 4-hydroxyhept-3-enoic acid is CCCC(O)=CCC(=O)O.
What is the InChIKey of 4-hydroxyhept-3-enoic acid?
The InChIKey is ZUEQUQDLJJLATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-3-6(8)4-5-7(9)10/h4,8H,2-3,5H2,1H3,(H,9,10).
What are the key properties of 4-hydroxyhept-3-enoic acid?
4-hydroxyhept-3-enoic acid has a molecular weight of 144.17 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyhept-3-enoic acid is sourced from PubChem (CID 88690122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).