1-hex-2-enoxypropan-2-one

C9H16O2 — CID 90766135

IUPAC1-hex-2-enoxypropan-2-one
SMILESCCCC=CCOCC(C)=O
InChIInChI=1S/C9H16O2/c1-3-4-5-6-7-11-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3
InChIKeyRFOZIHRRIHKWNF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.95
Rot. Bonds6

About 1-hex-2-enoxypropan-2-one

1-hex-2-enoxypropan-2-one (PubChem CID 90766135) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-hex-2-enoxypropan-2-one.

Molecular Properties

Compound Name1-hex-2-enoxypropan-2-one
PubChem CID90766135
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-hex-2-enoxypropan-2-one
SMILESCCCC=CCOCC(C)=O
InChIInChI=1S/C9H16O2/c1-3-4-5-6-7-11-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3
InChIKeyRFOZIHRRIHKWNF-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hex-2-enoxypropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (Z)-4-(2-oxopropoxy)but-2-enoate
CID 10442145
CID 57482386
CID 57482386
(E)-1-(chloromethoxy)hex-2-ene
CID 11499241
bis[(Z)-hex-2-enyl] (E)-but-2-enedioate
CID 24805711
bis[(Z)-hex-2-enyl] butanedioate
CID 91701123
bis[(E)-hex-2-enyl] pentanedioate
CID 91707138
(Z)-1-hex-2-enoxydec-2-ene
CID 174457455
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-1-methoxyhex-2-ene
CID 5366215
hex-2-enyl 2-methylbutanoate
CID 527116
(3E)-nona-3,5-dien-2-one
CID 131243861
acetic acid;(Z)-hex-2-en-1-ol
CID 170839903

Frequently Asked Questions

What is the IUPAC name of 1-hex-2-enoxypropan-2-one?
The IUPAC name of 1-hex-2-enoxypropan-2-one (CID 90766135) is 1-hex-2-enoxypropan-2-one.
What is the SMILES notation for 1-hex-2-enoxypropan-2-one?
The canonical SMILES for 1-hex-2-enoxypropan-2-one is CCCC=CCOCC(C)=O.
What is the InChIKey of 1-hex-2-enoxypropan-2-one?
The InChIKey is RFOZIHRRIHKWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-6-7-11-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 1-hex-2-enoxypropan-2-one?
1-hex-2-enoxypropan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-2-enoxypropan-2-one is sourced from PubChem (CID 90766135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).