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

C8H12O2 — CID 12063897

IUPAC2-propyl-2,5-dihydropyran-6-one
SMILESCCCC1C=CCC(=O)O1
InChIInChI=1S/C8H12O2/c1-2-4-7-5-3-6-8(9)10-7/h3,5,7H,2,4,6H2,1H3
InChIKeyMLNYKPBKPOHETG-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

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

2-propyl-2,5-dihydropyran-6-one (PubChem CID 12063897) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-propyl-2,5-dihydropyran-6-one.

Molecular Properties

Compound Name2-propyl-2,5-dihydropyran-6-one
PubChem CID12063897
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-propyl-2,5-dihydropyran-6-one
SMILESCCCC1C=CCC(=O)O1
InChIInChI=1S/C8H12O2/c1-2-4-7-5-3-6-8(9)10-7/h3,5,7H,2,4,6H2,1H3
InChIKeyMLNYKPBKPOHETG-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
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

trans-2-HEXENYL BUTYRATE
CID 5352461
2-Hexenyl propionate, (2E)-
CID 5352463
2-Heptenyl acetate, (2E)-
CID 5363203
Parasorbic acid
CID 441575
2-Octen-1-yl butyrate, (2E)-
CID 5362591
Hex-2-enyl butyrate
CID 104485
2,7-Octadien-1-ol, acetate
CID 5363376
6-methyl-5,6-dihydro-2H-pyran-2-one
CID 24869
6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
(2R)-2-[(E)-4-oxopent-2-enyl]-2,3-dihydropyran-6-one
CID 10678930
6-ethyl-5,6-dihydro-2H-pyran-2-one
CID 12213801
cis-3,5-Diacetoxy-1-cyclopentene
CID 10192610

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2,5-dihydropyran-6-one?
The IUPAC name of 2-propyl-2,5-dihydropyran-6-one (CID 12063897) is 2-propyl-2,5-dihydropyran-6-one.
What is the SMILES notation for 2-propyl-2,5-dihydropyran-6-one?
The canonical SMILES for 2-propyl-2,5-dihydropyran-6-one is CCCC1C=CCC(=O)O1.
What is the InChIKey of 2-propyl-2,5-dihydropyran-6-one?
The InChIKey is MLNYKPBKPOHETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-4-7-5-3-6-8(9)10-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 2-propyl-2,5-dihydropyran-6-one?
2-propyl-2,5-dihydropyran-6-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2,5-dihydropyran-6-one is sourced from PubChem (CID 12063897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).