3,4-dimethyloxolan-2-one

C6H10O2 — CID 15090448

IUPAC3,4-dimethyloxolan-2-one
SMILESCC1COC(=O)C1C
InChIInChI=1S/C6H10O2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3
InChIKeyURIHWCCVKZSTMD-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.82
Rot. Bonds

About 3,4-dimethyloxolan-2-one

3,4-dimethyloxolan-2-one (PubChem CID 15090448) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name3,4-dimethyloxolan-2-one
PubChem CID15090448
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3,4-dimethyloxolan-2-one
SMILESCC1COC(=O)C1C
InChIInChI=1S/C6H10O2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3
InChIKeyURIHWCCVKZSTMD-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyloxolan-2-one;4,5-dimethyloxolan-2-one;ethane;methane
CID 157161037
(3R,4R)-3-hydroxy-4-methyloxolan-2-one
CID 10953469
3,4-dimethyloxan-2-one
CID 13200721
CID 167346588
CID 167346588
(3S,4S)-4-methyl-5-oxooxolane-3-carboxylic acid
CID 6951612
4-methyl-5-oxooxolane-3-carboxylic acid
CID 166063957
(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid
CID 6951610
(3S,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one
CID 10582865
3-methyl-4-(2-sulfanylethyl)oxolan-2-one
CID 170072101
3-methyl-4-prop-1-enyloxolan-2-one
CID 123677303
4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 14344492
(3R,4R,5R)-3,5-dimethyl-4-phenylmethoxyoxan-2-one
CID 158721610

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloxolan-2-one?
The IUPAC name of 3,4-dimethyloxolan-2-one (CID 15090448) is 3,4-dimethyloxolan-2-one.
What is the SMILES notation for 3,4-dimethyloxolan-2-one?
The canonical SMILES for 3,4-dimethyloxolan-2-one is CC1COC(=O)C1C.
What is the InChIKey of 3,4-dimethyloxolan-2-one?
The InChIKey is URIHWCCVKZSTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-3-8-6(7)5(4)2/h4-5H,3H2,1-2H3.
What are the key properties of 3,4-dimethyloxolan-2-one?
3,4-dimethyloxolan-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyloxolan-2-one is sourced from PubChem (CID 15090448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).