(3R)-3-hydroxyhex-4-enoic acid

C6H10O3 — CID 54147030

IUPAC(3R)-3-hydroxyhex-4-enoic acid
SMILESCC=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)/t5-/m0/s1
InChIKeyOFCNGPVEUCUWSR-YFKPBYRVSA-N
MW130.14 g/mol
LogP0.40
Rot. Bonds3

About (3R)-3-hydroxyhex-4-enoic acid

(3R)-3-hydroxyhex-4-enoic acid (PubChem CID 54147030) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3R)-3-hydroxyhex-4-enoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxyhex-4-enoic acid
PubChem CID54147030
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3R)-3-hydroxyhex-4-enoic acid
SMILESCC=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)/t5-/m0/s1
InChIKeyOFCNGPVEUCUWSR-YFKPBYRVSA-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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Related Compounds

(E)-3-hydroxyhex-4-enamide
CID 11083908
1,4-dihydroxyhept-5-en-2-one
CID 59965404
(Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid
CID 125475724
(E,3R,4S,5R)-3,5-dihydroxy-4-methyloct-6-enoic acid
CID 163050810
S-ethyl (E,3R)-3-hydroxyhex-4-enethioate
CID 101168874
2-prop-1-enylbutanedioic acid;hydrochloride
CID 173011376
(E)-3-hydroxynon-4-enoic acid
CID 55277354
3-hydroxyundeca-4,8-dienoic acid
CID 57374118
(3S)-3-hydroxypent-4-enoic acid
CID 12740485
(E)-4,5-dimethyloct-6-enoic acid
CID 155168801
(E)-hex-4-en-3-ol
CID 5366234
(E)-3-hydroxy-4-methyloct-6-enoic acid
CID 87602853

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxyhex-4-enoic acid?
The IUPAC name of (3R)-3-hydroxyhex-4-enoic acid (CID 54147030) is (3R)-3-hydroxyhex-4-enoic acid.
What is the SMILES notation for (3R)-3-hydroxyhex-4-enoic acid?
The canonical SMILES for (3R)-3-hydroxyhex-4-enoic acid is CC=C[C@H](O)CC(=O)O.
What is the InChIKey of (3R)-3-hydroxyhex-4-enoic acid?
The InChIKey is OFCNGPVEUCUWSR-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of (3R)-3-hydroxyhex-4-enoic acid?
(3R)-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 (3R)-3-hydroxyhex-4-enoic acid is sourced from PubChem (CID 54147030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).