(E,3S)-3-hydroxyhex-4-enoic acid

C6H10O3 — CID 10080430

IUPAC(E,3S)-3-hydroxyhex-4-enoic acid
SMILESC/C=C/[C@@H](O)CC(=O)O
InChIInChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-3,5,7H,4H2,1H3,(H,8,9)/b3-2+/t5-/m1/s1
InChIKeyOFCNGPVEUCUWSR-WVSAJJKCSA-N
MW130.14 g/mol
LogP0.40
Rot. Bonds3

About (E,3S)-3-hydroxyhex-4-enoic acid

(E,3S)-3-hydroxyhex-4-enoic acid (PubChem CID 10080430) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (E,3S)-3-hydroxyhex-4-enoic acid.

Molecular Properties

Compound Name(E,3S)-3-hydroxyhex-4-enoic acid
PubChem CID10080430
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(E,3S)-3-hydroxyhex-4-enoic acid
SMILESC/C=C/[C@@H](O)CC(=O)O
InChIInChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-3,5,7H,4H2,1H3,(H,8,9)/b3-2+/t5-/m1/s1
InChIKeyOFCNGPVEUCUWSR-WVSAJJKCSA-N
XLogP0.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.40
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,3S)-3-hydroxyhex-4-enoic acid?
The IUPAC name of (E,3S)-3-hydroxyhex-4-enoic acid (CID 10080430) is (E,3S)-3-hydroxyhex-4-enoic acid.
What is the SMILES notation for (E,3S)-3-hydroxyhex-4-enoic acid?
The canonical SMILES for (E,3S)-3-hydroxyhex-4-enoic acid is C/C=C/[C@@H](O)CC(=O)O.
What is the InChIKey of (E,3S)-3-hydroxyhex-4-enoic acid?
The InChIKey is OFCNGPVEUCUWSR-WVSAJJKCSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-3,5,7H,4H2,1H3,(H,8,9)/b3-2+/t5-/m1/s1.
What are the key properties of (E,3S)-3-hydroxyhex-4-enoic acid?
(E,3S)-3-hydroxyhex-4-enoic acid has a molecular weight of 130.14 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-hydroxyhex-4-enoic acid is sourced from PubChem (CID 10080430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).