2-butyl-5-methyl-2,3-dihydropyran-4-one

C10H16O2 — CID 130036444

IUPAC2-butyl-5-methyl-2,3-dihydropyran-4-one
SMILESCCCCC1CC(=O)C(C)=CO1
InChIInChI=1S/C10H16O2/c1-3-4-5-9-6-10(11)8(2)7-12-9/h7,9H,3-6H2,1-2H3
InChIKeyVPRZKUWWEMOJSN-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds3

About 2-butyl-5-methyl-2,3-dihydropyran-4-one

2-butyl-5-methyl-2,3-dihydropyran-4-one (PubChem CID 130036444) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-butyl-5-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-butyl-5-methyl-2,3-dihydropyran-4-one
PubChem CID130036444
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-butyl-5-methyl-2,3-dihydropyran-4-one
SMILESCCCCC1CC(=O)C(C)=CO1
InChIInChI=1S/C10H16O2/c1-3-4-5-9-6-10(11)8(2)7-12-9/h7,9H,3-6H2,1-2H3
InChIKeyVPRZKUWWEMOJSN-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

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Related Compounds

(2R)-2-pentyl-2,3-dihydropyran-4-one
CID 12016843
(2S)-2-pentyl-2,3-dihydropyran-4-one
CID 10197880
4H-Pyran-4-one, 2-butyl-2,3-dihydro-
CID 10920723
3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
2-Butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090578
(2S,3R)-2-butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090579
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
5-Methyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 130036481
(2S)-2-butyl-2,3-dihydropyran-4-one
CID 134896190
(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one
CID 135075580
2-Ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 74320459
(2R)-2-octyl-2,3-dihydropyran-4-one
CID 15204010

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-2,3-dihydropyran-4-one?
The IUPAC name of 2-butyl-5-methyl-2,3-dihydropyran-4-one (CID 130036444) is 2-butyl-5-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-butyl-5-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2-butyl-5-methyl-2,3-dihydropyran-4-one is CCCCC1CC(=O)C(C)=CO1.
What is the InChIKey of 2-butyl-5-methyl-2,3-dihydropyran-4-one?
The InChIKey is VPRZKUWWEMOJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-9-6-10(11)8(2)7-12-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-butyl-5-methyl-2,3-dihydropyran-4-one?
2-butyl-5-methyl-2,3-dihydropyran-4-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 2-butyl-5-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 130036444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).