[(E)-but-1-enyl] acetate

C6H10O2 — CID 10148991

IUPAC[(E)-but-1-enyl] acetate
SMILESCC/C=C/OC(C)=O
InChIInChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h4-5H,3H2,1-2H3/b5-4+
InChIKeyNLAMRLZPVVKXTK-SNAWJCMRSA-N
MW114.14 g/mol
LogP1.47
Rot. Bonds2

About [(E)-but-1-enyl] acetate

[(E)-but-1-enyl] acetate (PubChem CID 10148991) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is [(E)-but-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-but-1-enyl] acetate
PubChem CID10148991
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name[(E)-but-1-enyl] acetate
SMILESCC/C=C/OC(C)=O
InChIInChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h4-5H,3H2,1-2H3/b5-4+
InChIKeyNLAMRLZPVVKXTK-SNAWJCMRSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.47
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

4-Pentenyl acetate
CID 74096
1-Heptenyl acetate
CID 118827
2(3H)-Furanone
CID 140765
3-Buten-1-ol, 1-acetate
CID 74095
1,3-Butadienyl acetate
CID 15195
1,3-Butadienyl acetate, (1E)-
CID 5363433
Ethyl vinylacetate
CID 74172
Hept-1-enyl acetate
CID 5463146
Hex-1-enyl acetate
CID 6438320
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

Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-enyl] acetate?
The IUPAC name of [(E)-but-1-enyl] acetate (CID 10148991) is [(E)-but-1-enyl] acetate.
What is the SMILES notation for [(E)-but-1-enyl] acetate?
The canonical SMILES for [(E)-but-1-enyl] acetate is CC/C=C/OC(C)=O.
What is the InChIKey of [(E)-but-1-enyl] acetate?
The InChIKey is NLAMRLZPVVKXTK-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h4-5H,3H2,1-2H3/b5-4+.
What are the key properties of [(E)-but-1-enyl] acetate?
[(E)-but-1-enyl] acetate has a molecular weight of 114.14 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl] acetate is sourced from PubChem (CID 10148991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).