3-ethyl-2-propyl-2,5-dihydropyran-6-one

C10H16O2 — CID 12063898

IUPAC3-ethyl-2-propyl-2,5-dihydropyran-6-one
SMILESCCCC1OC(=O)CC=C1CC
InChIInChI=1S/C10H16O2/c1-3-5-9-8(4-2)6-7-10(11)12-9/h6,9H,3-5,7H2,1-2H3
InChIKeyQXZNIQIMZONTLU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds3

About 3-ethyl-2-propyl-2,5-dihydropyran-6-one

3-ethyl-2-propyl-2,5-dihydropyran-6-one (PubChem CID 12063898) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-ethyl-2-propyl-2,5-dihydropyran-6-one.

Molecular Properties

Compound Name3-ethyl-2-propyl-2,5-dihydropyran-6-one
PubChem CID12063898
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-ethyl-2-propyl-2,5-dihydropyran-6-one
SMILESCCCC1OC(=O)CC=C1CC
InChIInChI=1S/C10H16O2/c1-3-5-9-8(4-2)6-7-10(11)12-9/h6,9H,3-5,7H2,1-2H3
InChIKeyQXZNIQIMZONTLU-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
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

Carvyl acetate
CID 7335
Geranyl butyrate
CID 5355856
Neryl butyrate
CID 5352162
Neryl propionate
CID 5365982
Geranyl propionate
CID 5355853
Carvyl propionate, (+-)-
CID 7336
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
4,8-Dimethyl-3,7-nonadien-2-ol acetate
CID 5365819
Carvyl acetate, (1S,5R)-
CID 81505
Carvyl acetate, (1S,5S)-
CID 81544
3,7-Dimethyl-2,6-octadienyl Butyrate
CID 7796
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate
CID 7782

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propyl-2,5-dihydropyran-6-one?
The IUPAC name of 3-ethyl-2-propyl-2,5-dihydropyran-6-one (CID 12063898) is 3-ethyl-2-propyl-2,5-dihydropyran-6-one.
What is the SMILES notation for 3-ethyl-2-propyl-2,5-dihydropyran-6-one?
The canonical SMILES for 3-ethyl-2-propyl-2,5-dihydropyran-6-one is CCCC1OC(=O)CC=C1CC.
What is the InChIKey of 3-ethyl-2-propyl-2,5-dihydropyran-6-one?
The InChIKey is QXZNIQIMZONTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-9-8(4-2)6-7-10(11)12-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 3-ethyl-2-propyl-2,5-dihydropyran-6-one?
3-ethyl-2-propyl-2,5-dihydropyran-6-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propyl-2,5-dihydropyran-6-one is sourced from PubChem (CID 12063898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).