2,4-dimethyl-2,3-dihydropyran-6-one

C7H10O2 — CID 24973324

IUPAC2,4-dimethyl-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)OC(C)C1
InChIInChI=1S/C7H10O2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3
InChIKeyHAQPDUQSMQJVEE-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds

About 2,4-dimethyl-2,3-dihydropyran-6-one

2,4-dimethyl-2,3-dihydropyran-6-one (PubChem CID 24973324) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2,4-dimethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2,4-dimethyl-2,3-dihydropyran-6-one
PubChem CID24973324
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2,4-dimethyl-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)OC(C)C1
InChIInChI=1S/C7H10O2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3
InChIKeyHAQPDUQSMQJVEE-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Parasorbic acid
CID 441575
Ethyl 3,7-dimethyl-2,6-octadienoate
CID 5365917
Ethyl 3,7-dimethylocta-2,6-dienoate
CID 114614
4,8-Dimethyl-3,7-nonadien-2-ol acetate
CID 5365819
2,3-Anhydromevalonic acid
CID 557445
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
CID 5317247
5,6-Dihydro-4-methoxy-6-methyl-2H-pyran-2-one
CID 229844
Alpha,beta-acariolide
CID 11041080
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,3-dihydropyran-6-one?
The IUPAC name of 2,4-dimethyl-2,3-dihydropyran-6-one (CID 24973324) is 2,4-dimethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2,4-dimethyl-2,3-dihydropyran-6-one?
The canonical SMILES for 2,4-dimethyl-2,3-dihydropyran-6-one is CC1=CC(=O)OC(C)C1.
What is the InChIKey of 2,4-dimethyl-2,3-dihydropyran-6-one?
The InChIKey is HAQPDUQSMQJVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-2,3-dihydropyran-6-one?
2,4-dimethyl-2,3-dihydropyran-6-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 24973324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).