4-hydroxypent-1-en-3-yl acetate

C7H12O3 — CID 130149697

IUPAC4-hydroxypent-1-en-3-yl acetate
SMILESC=CC(OC(C)=O)C(C)O
InChIInChI=1S/C7H12O3/c1-4-7(5(2)8)10-6(3)9/h4-5,7-8H,1H2,2-3H3
InChIKeyVHZFKYLVRIJSEO-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.48
Rot. Bonds3

About 4-hydroxypent-1-en-3-yl acetate

4-hydroxypent-1-en-3-yl acetate (PubChem CID 130149697) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-hydroxypent-1-en-3-yl acetate.

Molecular Properties

Compound Name4-hydroxypent-1-en-3-yl acetate
PubChem CID130149697
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name4-hydroxypent-1-en-3-yl acetate
SMILESC=CC(OC(C)=O)C(C)O
InChIInChI=1S/C7H12O3/c1-4-7(5(2)8)10-6(3)9/h4-5,7-8H,1H2,2-3H3
InChIKeyVHZFKYLVRIJSEO-UHFFFAOYSA-N
XLogP0.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-hydroxypent-1-en-3-yl acetate?
The IUPAC name of 4-hydroxypent-1-en-3-yl acetate (CID 130149697) is 4-hydroxypent-1-en-3-yl acetate.
What is the SMILES notation for 4-hydroxypent-1-en-3-yl acetate?
The canonical SMILES for 4-hydroxypent-1-en-3-yl acetate is C=CC(OC(C)=O)C(C)O.
What is the InChIKey of 4-hydroxypent-1-en-3-yl acetate?
The InChIKey is VHZFKYLVRIJSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-7(5(2)8)10-6(3)9/h4-5,7-8H,1H2,2-3H3.
What are the key properties of 4-hydroxypent-1-en-3-yl acetate?
4-hydroxypent-1-en-3-yl acetate has a molecular weight of 144.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-1-en-3-yl acetate is sourced from PubChem (CID 130149697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).