[(Z)-prop-1-enyl] acetate

C5H8O2 — CID 643772

IUPAC[(Z)-prop-1-enyl] acetate
SMILESC/C=C\OC(C)=O
InChIInChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3-4H,1-2H3/b4-3-
InChIKeyIKUJAIDSWVXUGG-ARJAWSKDSA-N
MW100.12 g/mol
LogP1.08
Rot. Bonds1

About [(Z)-prop-1-enyl] acetate

[(Z)-prop-1-enyl] acetate (PubChem CID 643772) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is [(Z)-prop-1-enyl] acetate.

Molecular Properties

Compound Name[(Z)-prop-1-enyl] acetate
PubChem CID643772
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name[(Z)-prop-1-enyl] acetate
SMILESC/C=C\OC(C)=O
InChIInChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3-4H,1-2H3/b4-3-
InChIKeyIKUJAIDSWVXUGG-ARJAWSKDSA-N
XLogP1.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.08
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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Related Compounds

1,3-Butadienyl acetate
CID 15195
1,3-Butadienyl acetate, (1E)-
CID 5363433
1,3-Diacetoxypropene, (E)-
CID 6371397
Hex-1-enyl acetate
CID 6438320
1,3-Diacetoxypropene, (Z)-
CID 5354655
trans,trans-1,4-Diacetoxy-1,3-butadiene
CID 5324872
[(1E)-3-methylbuta-1,3-dienyl] acetate
CID 10920518
1-Hexen-1-ol, 1-acetate
CID 122966
Acetic acid, 3-allyloxyallyl ester
CID 6434843
Ethene;ethenyl acetate;prop-1-ene
CID 168427
(3z)-Hexenyl acetate
CID 10820631
1,3-Butadienyl acetate, (1Z)-
CID 11286451

Frequently Asked Questions

What is the IUPAC name of [(Z)-prop-1-enyl] acetate?
The IUPAC name of [(Z)-prop-1-enyl] acetate (CID 643772) is [(Z)-prop-1-enyl] acetate.
What is the SMILES notation for [(Z)-prop-1-enyl] acetate?
The canonical SMILES for [(Z)-prop-1-enyl] acetate is C/C=C\OC(C)=O.
What is the InChIKey of [(Z)-prop-1-enyl] acetate?
The InChIKey is IKUJAIDSWVXUGG-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3-4H,1-2H3/b4-3-.
What are the key properties of [(Z)-prop-1-enyl] acetate?
[(Z)-prop-1-enyl] acetate has a molecular weight of 100.12 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-prop-1-enyl] acetate is sourced from PubChem (CID 643772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).