3-[(E)-but-2-enoxy]butan-2-one

C8H14O2 — CID 62277876

IUPAC3-[(E)-but-2-enoxy]butan-2-one
SMILESC/C=C/COC(C)C(C)=O
InChIInChI=1S/C8H14O2/c1-4-5-6-10-8(3)7(2)9/h4-5,8H,6H2,1-3H3/b5-4+
InChIKeyAWWTXUUWBMKNIR-SNAWJCMRSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds4

About 3-[(E)-but-2-enoxy]butan-2-one

3-[(E)-but-2-enoxy]butan-2-one (PubChem CID 62277876) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-[(E)-but-2-enoxy]butan-2-one.

Molecular Properties

Compound Name3-[(E)-but-2-enoxy]butan-2-one
PubChem CID62277876
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-[(E)-but-2-enoxy]butan-2-one
SMILESC/C=C/COC(C)C(C)=O
InChIInChI=1S/C8H14O2/c1-4-5-6-10-8(3)7(2)9/h4-5,8H,6H2,1-3H3/b5-4+
InChIKeyAWWTXUUWBMKNIR-SNAWJCMRSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Prop-2-en-1-yloxy)propan-2-one
CID 10909536
1-(3-Methylbut-2-enoxy)propan-2-one
CID 13618020
1-(3-Methylbut-2-enoxy)butan-2-one
CID 15256145
(3S)-3-[(E)-4,4,4-trifluorobut-2-enoxy]butan-2-one
CID 132240588
1-[(2E,4E)-hexa-2,4-dienoxy]propan-2-one
CID 11513779
1-[(E)-but-2-enoxy]butan-2-one
CID 15256144
1-[(E)-but-2-enoxy]propan-2-one
CID 62277294
2-[(E)-but-2-enoxy]-3-fluoropropanal
CID 130035293
(2R)-2-[(E)-but-2-enoxy]-3-fluoropropanal
CID 131232288
1-Prop-2-enoxybutan-2-one
CID 10080414
2-Prop-2-enoxypropanal
CID 15074887
1-But-2-enoxypropan-2-one
CID 57062452

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-enoxy]butan-2-one?
The IUPAC name of 3-[(E)-but-2-enoxy]butan-2-one (CID 62277876) is 3-[(E)-but-2-enoxy]butan-2-one.
What is the SMILES notation for 3-[(E)-but-2-enoxy]butan-2-one?
The canonical SMILES for 3-[(E)-but-2-enoxy]butan-2-one is C/C=C/COC(C)C(C)=O.
What is the InChIKey of 3-[(E)-but-2-enoxy]butan-2-one?
The InChIKey is AWWTXUUWBMKNIR-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-6-10-8(3)7(2)9/h4-5,8H,6H2,1-3H3/b5-4+.
What are the key properties of 3-[(E)-but-2-enoxy]butan-2-one?
3-[(E)-but-2-enoxy]butan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enoxy]butan-2-one is sourced from PubChem (CID 62277876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).