(E)-3-hydroxyoct-6-enoic acid

C8H14O3 — CID 6438595

IUPAC(E)-3-hydroxyoct-6-enoic acid
SMILESC/C=C/CCC(O)CC(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-3,7,9H,4-6H2,1H3,(H,10,11)/b3-2+
InChIKeyUYHGBTRCKCDOGE-NSCUHMNNSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds5

About (E)-3-hydroxyoct-6-enoic acid

(E)-3-hydroxyoct-6-enoic acid (PubChem CID 6438595) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (E)-3-hydroxyoct-6-enoic acid.

Molecular Properties

Compound Name(E)-3-hydroxyoct-6-enoic acid
PubChem CID6438595
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(E)-3-hydroxyoct-6-enoic acid
SMILESC/C=C/CCC(O)CC(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-3,7,9H,4-6H2,1H3,(H,10,11)/b3-2+
InChIKeyUYHGBTRCKCDOGE-NSCUHMNNSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxyoct-6-enoic acid?
The IUPAC name of (E)-3-hydroxyoct-6-enoic acid (CID 6438595) is (E)-3-hydroxyoct-6-enoic acid.
What is the SMILES notation for (E)-3-hydroxyoct-6-enoic acid?
The canonical SMILES for (E)-3-hydroxyoct-6-enoic acid is C/C=C/CCC(O)CC(=O)O.
What is the InChIKey of (E)-3-hydroxyoct-6-enoic acid?
The InChIKey is UYHGBTRCKCDOGE-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-3,7,9H,4-6H2,1H3,(H,10,11)/b3-2+.
What are the key properties of (E)-3-hydroxyoct-6-enoic acid?
(E)-3-hydroxyoct-6-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 (E)-3-hydroxyoct-6-enoic acid is sourced from PubChem (CID 6438595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).