2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone

C11H18O2 — CID 130601230

IUPAC2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone
SMILESCC1(CC(=O)C2CCCO2)CCC1
InChIInChI=1S/C11H18O2/c1-11(5-3-6-11)8-9(12)10-4-2-7-13-10/h10H,2-8H2,1H3
InChIKeyHVFUNEDUPPRJAL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds3

About 2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone

2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone (PubChem CID 130601230) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone
PubChem CID130601230
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone
SMILESCC1(CC(=O)C2CCCO2)CCC1
InChIInChI=1S/C11H18O2/c1-11(5-3-6-11)8-9(12)10-4-2-7-13-10/h10H,2-8H2,1H3
InChIKeyHVFUNEDUPPRJAL-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-3-(oxolan-2-yl)propanal
CID 130577622
3-methyl-1-(oxolan-2-yl)butan-1-one
CID 23514782
2-cyclopentyl-1-(oxan-2-yl)ethanone
CID 114969343
2-cyclobutyl-1-(oxan-2-yl)ethanone
CID 114974038
(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
CID 103872794
ethyl 3-oxo-3-[(2S)-oxolan-2-yl]propanoate
CID 40787289
2-methoxy-1-(oxan-2-yl)ethanone
CID 115783401
N-(4,4-dimethylcyclohexyl)-N-methyloxolane-2-carboxamide;ethane
CID 171632983
1-[(2S)-oxolan-2-yl]pent-4-en-1-one
CID 129365967
(2S)-N'-acetyloxolane-2-carbohydrazide
CID 131155943
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 104855883
2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone?
The IUPAC name of 2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone (CID 130601230) is 2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone.
What is the SMILES notation for 2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone?
The canonical SMILES for 2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone is CC1(CC(=O)C2CCCO2)CCC1.
What is the InChIKey of 2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone?
The InChIKey is HVFUNEDUPPRJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(5-3-6-11)8-9(12)10-4-2-7-13-10/h10H,2-8H2,1H3.
What are the key properties of 2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone?
2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone has a molecular weight of 182.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclobutyl)-1-(oxolan-2-yl)ethanone is sourced from PubChem (CID 130601230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).