4-[(E)-hex-1-enyl]-6-methylpyran-2-one

C12H16O2 — CID 11389915

IUPAC4-[(E)-hex-1-enyl]-6-methylpyran-2-one
SMILESCCCC/C=C/c1cc(C)oc(=O)c1
InChIInChI=1S/C12H16O2/c1-3-4-5-6-7-11-8-10(2)14-12(13)9-11/h6-9H,3-5H2,1-2H3/b7-6+
InChIKeyQKJRWGPCYBUGJY-VOTSOKGWSA-N
MW192.26 g/mol
LogP3.15
Rot. Bonds4

About 4-[(E)-hex-1-enyl]-6-methylpyran-2-one

4-[(E)-hex-1-enyl]-6-methylpyran-2-one (PubChem CID 11389915) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[(E)-hex-1-enyl]-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[(E)-hex-1-enyl]-6-methylpyran-2-one
PubChem CID11389915
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-[(E)-hex-1-enyl]-6-methylpyran-2-one
SMILESCCCC/C=C/c1cc(C)oc(=O)c1
InChIInChI=1S/C12H16O2/c1-3-4-5-6-7-11-8-10(2)14-12(13)9-11/h6-9H,3-5H2,1-2H3/b7-6+
InChIKeyQKJRWGPCYBUGJY-VOTSOKGWSA-N
XLogP3.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(E)-tetradec-1-enyl]furan
CID 91799260
1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene
CID 21304348
2-[(E)-hex-1-enyl]cycloprop-2-en-1-one
CID 10329344
1-[3,5-bis[(E)-hex-1-enyl]phenyl]propan-2-one
CID 130263619
4-dodecoxy-6-methylpyran-2-one
CID 122182825
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
3-[(E)-hex-1-enyl]phenol
CID 121007177
5-dodec-1-enyl-2-benzofuran-1,3-dione
CID 173109553
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
1,3-dinitro-5-[(E)-octadec-1-enyl]benzene
CID 11395996

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hex-1-enyl]-6-methylpyran-2-one?
The IUPAC name of 4-[(E)-hex-1-enyl]-6-methylpyran-2-one (CID 11389915) is 4-[(E)-hex-1-enyl]-6-methylpyran-2-one.
What is the SMILES notation for 4-[(E)-hex-1-enyl]-6-methylpyran-2-one?
The canonical SMILES for 4-[(E)-hex-1-enyl]-6-methylpyran-2-one is CCCC/C=C/c1cc(C)oc(=O)c1.
What is the InChIKey of 4-[(E)-hex-1-enyl]-6-methylpyran-2-one?
The InChIKey is QKJRWGPCYBUGJY-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-4-5-6-7-11-8-10(2)14-12(13)9-11/h6-9H,3-5H2,1-2H3/b7-6+.
What are the key properties of 4-[(E)-hex-1-enyl]-6-methylpyran-2-one?
4-[(E)-hex-1-enyl]-6-methylpyran-2-one has a molecular weight of 192.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hex-1-enyl]-6-methylpyran-2-one is sourced from PubChem (CID 11389915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).