(E)-hex-4-en-3-one

C6H10O — CID 5365811

IUPAC(E)-hex-4-en-3-one
SMILESC/C=C/C(=O)CC
InChIInChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKeyFEWIGMWODIRUJM-HWKANZROSA-N
MW98.14 g/mol
LogP1.54
Rot. Bonds2

About (E)-hex-4-en-3-one

(E)-hex-4-en-3-one (PubChem CID 5365811) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (E)-hex-4-en-3-one.

Molecular Properties

Compound Name(E)-hex-4-en-3-one
PubChem CID5365811
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(E)-hex-4-en-3-one
SMILESC/C=C/C(=O)CC
InChIInChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKeyFEWIGMWODIRUJM-HWKANZROSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-hex-4-en-3-one?
The IUPAC name of (E)-hex-4-en-3-one (CID 5365811) is (E)-hex-4-en-3-one.
What is the SMILES notation for (E)-hex-4-en-3-one?
The canonical SMILES for (E)-hex-4-en-3-one is C/C=C/C(=O)CC.
What is the InChIKey of (E)-hex-4-en-3-one?
The InChIKey is FEWIGMWODIRUJM-HWKANZROSA-N. The full InChI is InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-hex-4-en-3-one?
(E)-hex-4-en-3-one has a molecular weight of 98.14 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-4-en-3-one is sourced from PubChem (CID 5365811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).