(6S)-6-hydroxyoct-7-enoic acid

C8H14O3 — CID 163042487

IUPAC(6S)-6-hydroxyoct-7-enoic acid
SMILESC=C[C@@H](O)CCCCC(=O)O
InChIInChI=1S/C8H14O3/c1-2-7(9)5-3-4-6-8(10)11/h2,7,9H,1,3-6H2,(H,10,11)/t7-/m1/s1
InChIKeyOULIEBSNQYVDGJ-SSDOTTSWSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds6

About (6S)-6-hydroxyoct-7-enoic acid

(6S)-6-hydroxyoct-7-enoic acid (PubChem CID 163042487) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (6S)-6-hydroxyoct-7-enoic acid.

Molecular Properties

Compound Name(6S)-6-hydroxyoct-7-enoic acid
PubChem CID163042487
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(6S)-6-hydroxyoct-7-enoic acid
SMILESC=C[C@@H](O)CCCCC(=O)O
InChIInChI=1S/C8H14O3/c1-2-7(9)5-3-4-6-8(10)11/h2,7,9H,1,3-6H2,(H,10,11)/t7-/m1/s1
InChIKeyOULIEBSNQYVDGJ-SSDOTTSWSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxyoct-7-enoic acid?
The IUPAC name of (6S)-6-hydroxyoct-7-enoic acid (CID 163042487) is (6S)-6-hydroxyoct-7-enoic acid.
What is the SMILES notation for (6S)-6-hydroxyoct-7-enoic acid?
The canonical SMILES for (6S)-6-hydroxyoct-7-enoic acid is C=C[C@@H](O)CCCCC(=O)O.
What is the InChIKey of (6S)-6-hydroxyoct-7-enoic acid?
The InChIKey is OULIEBSNQYVDGJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-7(9)5-3-4-6-8(10)11/h2,7,9H,1,3-6H2,(H,10,11)/t7-/m1/s1.
What are the key properties of (6S)-6-hydroxyoct-7-enoic acid?
(6S)-6-hydroxyoct-7-enoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-hydroxyoct-7-enoic acid is sourced from PubChem (CID 163042487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).