4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane

C11H16O — CID 178055178

IUPAC4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane
SMILESCC1(C)CC(C2=CC=CCC2)O1
InChIInChI=1S/C11H16O/c1-11(2)8-10(12-11)9-6-4-3-5-7-9/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyOKKGKCBTOOWKRL-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.83
Rot. Bonds1

About 4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane

4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane (PubChem CID 178055178) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane
PubChem CID178055178
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane
SMILESCC1(C)CC(C2=CC=CCC2)O1
InChIInChI=1S/C11H16O/c1-11(2)8-10(12-11)9-6-4-3-5-7-9/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyOKKGKCBTOOWKRL-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine
CID 139470360
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 153393902
2-cyclohexa-1,3-dien-1-yl-2,3-dihydrochromen-4-one
CID 163729895
4-cyclohexa-1,3-dien-1-yl-1-ethyl-3,5-dioxabicyclo[5.1.0]octane
CID 121336266
2-cyclohexa-1,3-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 70807512
2,2-dimethyl-4-(4-methylphenyl)oxetane
CID 12731994
2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol
CID 89386750
(3aR,4R,6R,6aR)-5-cyclopenta-1,3-dien-1-yl-2,2,4,6-tetramethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 70892220
ethane;1-methylcyclohexa-1,3-diene
CID 91025584
4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
CID 71234821
methanamine;1-methylcyclohexa-1,3-diene
CID 142425195
1-bromocyclohexa-1,3-diene;ethane
CID 142165944

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane (CID 178055178) is 4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane is CC1(C)CC(C2=CC=CCC2)O1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane?
The InChIKey is OKKGKCBTOOWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-11(2)8-10(12-11)9-6-4-3-5-7-9/h3-4,6,10H,5,7-8H2,1-2H3.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane?
4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane has a molecular weight of 164.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane is sourced from PubChem (CID 178055178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).