4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one

C13H22O2 — CID 130825895

IUPAC4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one
SMILESCC(CC1COC(C)(C)C1=O)C1CCC1
InChIInChI=1S/C13H22O2/c1-9(10-5-4-6-10)7-11-8-15-13(2,3)12(11)14/h9-11H,4-8H2,1-3H3
InChIKeyGLBMMSZHYCHJHZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.81
Rot. Bonds3

About 4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one

4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one (PubChem CID 130825895) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one.

Molecular Properties

Compound Name4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one
PubChem CID130825895
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one
SMILESCC(CC1COC(C)(C)C1=O)C1CCC1
InChIInChI=1S/C13H22O2/c1-9(10-5-4-6-10)7-11-8-15-13(2,3)12(11)14/h9-11H,4-8H2,1-3H3
InChIKeyGLBMMSZHYCHJHZ-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-difluoroethyl)-2,2-dimethyloxolan-3-one
CID 130706345
4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one
CID 131123212
4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
CID 130691249
4-amino-2,2-dimethyloxolan-3-one
CID 126990472
4-(1-aminopropyl)-2,2-dimethyloxolan-3-one
CID 131115168
2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one
CID 130927246
2-cyclopropylpropylcyclobutane
CID 54087952
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
3-(2-cyclohexylpropyl)-4-methylpyrrolidine-2,5-dione
CID 140780050
4-[1-[5-(1-cycloheptylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane
CID 123748759
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622899
4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
CID 130673696

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one?
The IUPAC name of 4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one (CID 130825895) is 4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one.
What is the SMILES notation for 4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one?
The canonical SMILES for 4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one is CC(CC1COC(C)(C)C1=O)C1CCC1.
What is the InChIKey of 4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one?
The InChIKey is GLBMMSZHYCHJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(10-5-4-6-10)7-11-8-15-13(2,3)12(11)14/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one?
4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one has a molecular weight of 210.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one is sourced from PubChem (CID 130825895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).