7-hydroxyoct-2-enoic acid

C8H14O3 — CID 86014029

IUPAC7-hydroxyoct-2-enoic acid
SMILESCC(O)CCCC=CC(=O)O
InChIInChI=1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h4,6-7,9H,2-3,5H2,1H3,(H,10,11)
InChIKeyTWDBRKLFYIPUTJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds5

About 7-hydroxyoct-2-enoic acid

7-hydroxyoct-2-enoic acid (PubChem CID 86014029) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 7-hydroxyoct-2-enoic acid.

Molecular Properties

Compound Name7-hydroxyoct-2-enoic acid
PubChem CID86014029
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name7-hydroxyoct-2-enoic acid
SMILESCC(O)CCCC=CC(=O)O
InChIInChI=1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h4,6-7,9H,2-3,5H2,1H3,(H,10,11)
InChIKeyTWDBRKLFYIPUTJ-UHFFFAOYSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.18
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxyoct-2-enoic acid?
The IUPAC name of 7-hydroxyoct-2-enoic acid (CID 86014029) is 7-hydroxyoct-2-enoic acid.
What is the SMILES notation for 7-hydroxyoct-2-enoic acid?
The canonical SMILES for 7-hydroxyoct-2-enoic acid is CC(O)CCCC=CC(=O)O.
What is the InChIKey of 7-hydroxyoct-2-enoic acid?
The InChIKey is TWDBRKLFYIPUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h4,6-7,9H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 7-hydroxyoct-2-enoic acid?
7-hydroxyoct-2-enoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyoct-2-enoic acid is sourced from PubChem (CID 86014029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).