2,2-dimethyl-4-(4-methylphenyl)oxetane

C12H16O — CID 12731994

IUPAC2,2-dimethyl-4-(4-methylphenyl)oxetane
SMILESCc1ccc(C2CC(C)(C)O2)cc1
InChIInChI=1S/C12H16O/c1-9-4-6-10(7-5-9)11-8-12(2,3)13-11/h4-7,11H,8H2,1-3H3
InChIKeyVIEWPCDXUFAZHL-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.24
Rot. Bonds1

About 2,2-dimethyl-4-(4-methylphenyl)oxetane

2,2-dimethyl-4-(4-methylphenyl)oxetane (PubChem CID 12731994) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methylphenyl)oxetane.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methylphenyl)oxetane
PubChem CID12731994
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2,2-dimethyl-4-(4-methylphenyl)oxetane
SMILESCc1ccc(C2CC(C)(C)O2)cc1
InChIInChI=1S/C12H16O/c1-9-4-6-10(7-5-9)11-8-12(2,3)13-11/h4-7,11H,8H2,1-3H3
InChIKeyVIEWPCDXUFAZHL-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
CID 144562671
(5S)-3,3-dimethyl-5-(4-methylphenyl)oxolan-2-one
CID 155934344
5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine
CID 82281406
1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
CID 52630352
1-(2,2-difluorocyclopropyl)-4-methylbenzene
CID 25210513
2,2,5-trimethyl-6-(4-methylphenyl)morpholine
CID 65102432
platinum;1,4-xylene
CID 173034643
5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxepane
CID 139546677
1-(1-deuterio-4,4-dimethylcyclohexyl)-4-(4-methylphenyl)benzene
CID 155785049
5-methyl-2-(4-methylphenyl)oxane
CID 23520509
4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran
CID 54040737
3-(4-methylphenyl)-1-oxa-8-azoniaspiro[4.5]decane
CID 142283417

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methylphenyl)oxetane?
The IUPAC name of 2,2-dimethyl-4-(4-methylphenyl)oxetane (CID 12731994) is 2,2-dimethyl-4-(4-methylphenyl)oxetane.
What is the SMILES notation for 2,2-dimethyl-4-(4-methylphenyl)oxetane?
The canonical SMILES for 2,2-dimethyl-4-(4-methylphenyl)oxetane is Cc1ccc(C2CC(C)(C)O2)cc1.
What is the InChIKey of 2,2-dimethyl-4-(4-methylphenyl)oxetane?
The InChIKey is VIEWPCDXUFAZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-4-6-10(7-5-9)11-8-12(2,3)13-11/h4-7,11H,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(4-methylphenyl)oxetane?
2,2-dimethyl-4-(4-methylphenyl)oxetane has a molecular weight of 176.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methylphenyl)oxetane is sourced from PubChem (CID 12731994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).