2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone

C11H18O2 — CID 114974057

IUPAC2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone
SMILESCC1CCC(C(=O)CC2CCC2)O1
InChIInChI=1S/C11H18O2/c1-8-5-6-11(13-8)10(12)7-9-3-2-4-9/h8-9,11H,2-7H2,1H3
InChIKeyHJBFOLAEQCMOFQ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds3

About 2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone

2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone (PubChem CID 114974057) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone
PubChem CID114974057
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone
SMILESCC1CCC(C(=O)CC2CCC2)O1
InChIInChI=1S/C11H18O2/c1-8-5-6-11(13-8)10(12)7-9-3-2-4-9/h8-9,11H,2-7H2,1H3
InChIKeyHJBFOLAEQCMOFQ-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

(2R)-5-methyloxolane-2-carboxylic acid
CID 58055098
2-cyclobutyl-1-(oxan-2-yl)ethanone
CID 114974038
tert-butyl 3-[(2R,5R)-5-methyloxolan-2-yl]-3-oxopropanoate
CID 125485895
2-cyclopentyl-1-(oxan-2-yl)ethanone
CID 114969343
2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114974200
N-cyclopentyl-N-(2-hydroxyethyl)-5-methyloxolane-2-carboxamide
CID 81330576
2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114973953
propyl 4-(5-methyloxolan-2-yl)-4-oxobutanoate
CID 82839232
2-(furan-3-yl)-1-(5-methyloxolan-2-yl)ethanone
CID 115795921
2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114967922
2-cyclobutyl-1-morpholin-2-ylethanone
CID 116561623
2-cyclobutyl-N-methylacetamide
CID 57296172

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone (CID 114974057) is 2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone is CC1CCC(C(=O)CC2CCC2)O1.
What is the InChIKey of 2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone?
The InChIKey is HJBFOLAEQCMOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-5-6-11(13-8)10(12)7-9-3-2-4-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone?
2-cyclobutyl-1-(5-methyloxolan-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-cyclobutyl-1-(5-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 114974057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).