2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one

C11H20O2 — CID 130647263

IUPAC2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one
SMILESCC(C)C(C)C(=O)C1CCOC1C
InChIInChI=1S/C11H20O2/c1-7(2)8(3)11(12)10-5-6-13-9(10)4/h7-10H,5-6H2,1-4H3
InChIKeyNEDSEYNHNUAQFN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds3

About 2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one

2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one (PubChem CID 130647263) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one
PubChem CID130647263
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one
SMILESCC(C)C(C)C(=O)C1CCOC1C
InChIInChI=1S/C11H20O2/c1-7(2)8(3)11(12)10-5-6-13-9(10)4/h7-10H,5-6H2,1-4H3
InChIKeyNEDSEYNHNUAQFN-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
1-[(2S,3R)-2-methyloxolan-3-yl]ethanone
CID 102014015
4-methyl-1-(2-methyloxolan-3-yl)pentan-1-one
CID 114966793
cyclobutyl-(2-methyloxolan-3-yl)methanone
CID 115811561
3-methyl-1-(2-methyloxolan-3-yl)hexan-1-one
CID 114968800
1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968400
2-chloro-2-(4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 81242724
N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759025
1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone
CID 79760065
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
2-(4-chlorophenyl)-3-(2-methyloxolan-3-yl)-3-oxopropanenitrile
CID 79758655

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one?
The IUPAC name of 2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one (CID 130647263) is 2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one.
What is the SMILES notation for 2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one?
The canonical SMILES for 2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one is CC(C)C(C)C(=O)C1CCOC1C.
What is the InChIKey of 2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one?
The InChIKey is NEDSEYNHNUAQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)8(3)11(12)10-5-6-13-9(10)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one?
2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one is sourced from PubChem (CID 130647263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).