[(Z)-pent-2-en-3-yl] acetate

C7H12O2 — CID 5314074

IUPAC[(Z)-pent-2-en-3-yl] acetate
SMILESC/C=C(/CC)OC(C)=O
InChIInChI=1S/C7H12O2/c1-4-7(5-2)9-6(3)8/h4H,5H2,1-3H3/b7-4-
InChIKeyGCZZMHHPTUKDQE-DAXSKMNVSA-N
MW128.17 g/mol
LogP1.86
Rot. Bonds2

About [(Z)-pent-2-en-3-yl] acetate

[(Z)-pent-2-en-3-yl] acetate (PubChem CID 5314074) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(Z)-pent-2-en-3-yl] acetate.

Molecular Properties

Compound Name[(Z)-pent-2-en-3-yl] acetate
PubChem CID5314074
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(Z)-pent-2-en-3-yl] acetate
SMILESC/C=C(/CC)OC(C)=O
InChIInChI=1S/C7H12O2/c1-4-7(5-2)9-6(3)8/h4H,5H2,1-3H3/b7-4-
InChIKeyGCZZMHHPTUKDQE-DAXSKMNVSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-pent-2-en-3-yl] acetate?
The IUPAC name of [(Z)-pent-2-en-3-yl] acetate (CID 5314074) is [(Z)-pent-2-en-3-yl] acetate.
What is the SMILES notation for [(Z)-pent-2-en-3-yl] acetate?
The canonical SMILES for [(Z)-pent-2-en-3-yl] acetate is C/C=C(/CC)OC(C)=O.
What is the InChIKey of [(Z)-pent-2-en-3-yl] acetate?
The InChIKey is GCZZMHHPTUKDQE-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-7(5-2)9-6(3)8/h4H,5H2,1-3H3/b7-4-.
What are the key properties of [(Z)-pent-2-en-3-yl] acetate?
[(Z)-pent-2-en-3-yl] acetate has a molecular weight of 128.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pent-2-en-3-yl] acetate is sourced from PubChem (CID 5314074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).