2-methyloxan-3-one

C6H10O2 — CID 11073379

IUPAC2-methyloxan-3-one
SMILESCC1OCCCC1=O
InChIInChI=1S/C6H10O2/c1-5-6(7)3-2-4-8-5/h5H,2-4H2,1H3
InChIKeyLFJBBDLJNBHRBE-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.75
Rot. Bonds

About 2-methyloxan-3-one

2-methyloxan-3-one (PubChem CID 11073379) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methyloxan-3-one.

Molecular Properties

Compound Name2-methyloxan-3-one
PubChem CID11073379
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methyloxan-3-one
SMILESCC1OCCCC1=O
InChIInChI=1S/C6H10O2/c1-5-6(7)3-2-4-8-5/h5H,2-4H2,1H3
InChIKeyLFJBBDLJNBHRBE-UHFFFAOYSA-N
XLogP0.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyloxepan-3-one
CID 19870825
methyl 3-oxooxane-2-carboxylate
CID 67507121
2-methyl-3-[2-(oxolan-2-yl)ethyl]cyclopentan-1-one
CID 65165695
N-(2-methyloxolan-3-ylidene)hydroxylamine
CID 2777229
(2R)-2-methylmorpholin-4-ium-3-one
CID 144759971
2-aminooxolan-3-one
CID 70105580
(2S)-2,4-dimethylmorpholin-3-one
CID 163399028
2-(1,3-dioxan-2-ylmethyl)cyclohexan-1-one
CID 102370100
6-methoxy-2-methyloxan-3-one
CID 13011795
(1R,16R,17S)-17-methyl-3-oxabicyclo[14.1.0]heptadecane-2,15-dione
CID 102303451
(2R)-2-[2-[(2R,3S)-3-hydroxyoxan-2-yl]ethyl]oxan-3-one
CID 10846957
2-[methyl-(2-methyloxolan-3-yl)amino]cyclohexan-1-one
CID 82741982

Frequently Asked Questions

What is the IUPAC name of 2-methyloxan-3-one?
The IUPAC name of 2-methyloxan-3-one (CID 11073379) is 2-methyloxan-3-one.
What is the SMILES notation for 2-methyloxan-3-one?
The canonical SMILES for 2-methyloxan-3-one is CC1OCCCC1=O.
What is the InChIKey of 2-methyloxan-3-one?
The InChIKey is LFJBBDLJNBHRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-6(7)3-2-4-8-5/h5H,2-4H2,1H3.
What are the key properties of 2-methyloxan-3-one?
2-methyloxan-3-one has a molecular weight of 114.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxan-3-one is sourced from PubChem (CID 11073379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).