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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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).