3,3-dimethyl-2-(3-methylphenyl)oxetane

C12H16O — CID 143264180

IUPAC3,3-dimethyl-2-(3-methylphenyl)oxetane
SMILESCc1cccc(C2OCC2(C)C)c1
InChIInChI=1S/C12H16O/c1-9-5-4-6-10(7-9)11-12(2,3)8-13-11/h4-7,11H,8H2,1-3H3
InChIKeyAMFSYBOWABHDLN-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.09
Rot. Bonds1

About 3,3-dimethyl-2-(3-methylphenyl)oxetane

3,3-dimethyl-2-(3-methylphenyl)oxetane (PubChem CID 143264180) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3,3-dimethyl-2-(3-methylphenyl)oxetane.

Molecular Properties

Compound Name3,3-dimethyl-2-(3-methylphenyl)oxetane
PubChem CID143264180
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3,3-dimethyl-2-(3-methylphenyl)oxetane
SMILESCc1cccc(C2OCC2(C)C)c1
InChIInChI=1S/C12H16O/c1-9-5-4-6-10(7-9)11-12(2,3)8-13-11/h4-7,11H,8H2,1-3H3
InChIKeyAMFSYBOWABHDLN-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(3-methylphenyl)oxetane?
The IUPAC name of 3,3-dimethyl-2-(3-methylphenyl)oxetane (CID 143264180) is 3,3-dimethyl-2-(3-methylphenyl)oxetane.
What is the SMILES notation for 3,3-dimethyl-2-(3-methylphenyl)oxetane?
The canonical SMILES for 3,3-dimethyl-2-(3-methylphenyl)oxetane is Cc1cccc(C2OCC2(C)C)c1.
What is the InChIKey of 3,3-dimethyl-2-(3-methylphenyl)oxetane?
The InChIKey is AMFSYBOWABHDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-5-4-6-10(7-9)11-12(2,3)8-13-11/h4-7,11H,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(3-methylphenyl)oxetane?
3,3-dimethyl-2-(3-methylphenyl)oxetane has a molecular weight of 176.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(3-methylphenyl)oxetane is sourced from PubChem (CID 143264180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).