2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane

C20H26O — CID 163459328

IUPAC2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane
SMILESCC1C=C(C2(c3ccccc3)OC(C)(C)C2(C)C)C=CC1
InChIInChI=1S/C20H26O/c1-15-10-9-13-17(14-15)20(16-11-7-6-8-12-16)18(2,3)19(4,5)21-20/h6-9,11-15H,10H2,1-5H3
InChIKeyBNGFRXWUOHQLKZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.24
Rot. Bonds2

About 2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane

2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane (PubChem CID 163459328) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane
PubChem CID163459328
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane
SMILESCC1C=C(C2(c3ccccc3)OC(C)(C)C2(C)C)C=CC1
InChIInChI=1S/C20H26O/c1-15-10-9-13-17(14-15)20(16-11-7-6-8-12-16)18(2,3)19(4,5)21-20/h6-9,11-15H,10H2,1-5H3
InChIKeyBNGFRXWUOHQLKZ-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2,3-trimethyl-4,4-diphenyloxetan-3-yl)methanol
CID 15531973
methyl-(3-methylcyclohexa-1,5-dien-1-yl)-diphenylphosphanium
CID 144740709
2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 131966633
11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 12742317
(4-fluorophenyl)-(3-methylcyclohexa-1,5-dien-1-yl)-phenylsulfanium
CID 163869609
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
2-chloro-6-methylcyclohexa-1,3-diene
CID 12828163
5,7,7-trimethyl-4,4-diphenyl-3,6-dioxabicyclo[3.2.2]nonan-2-one
CID 2750548
10,11-dimethyl-12-phenyl-13-oxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6,8-tetraene
CID 101183549
3-ethyl-3,4-dimethyl-2,2-diphenyloxetane
CID 165355883
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
2,4-dimethyl-2-phenyl-3,4-dihydropyran
CID 86735403

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane?
The IUPAC name of 2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane (CID 163459328) is 2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane.
What is the SMILES notation for 2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane?
The canonical SMILES for 2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane is CC1C=C(C2(c3ccccc3)OC(C)(C)C2(C)C)C=CC1.
What is the InChIKey of 2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane?
The InChIKey is BNGFRXWUOHQLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-15-10-9-13-17(14-15)20(16-11-7-6-8-12-16)18(2,3)19(4,5)21-20/h6-9,11-15H,10H2,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane?
2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane has a molecular weight of 282.43 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyloxetane is sourced from PubChem (CID 163459328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).