2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane

C17H20O — CID 175208692

IUPAC2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane
SMILESCC1(C)OCC1C1C=CC=CC1c1ccccc1
InChIInChI=1S/C17H20O/c1-17(2)16(12-18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,14-16H,12H2,1-2H3
InChIKeyDWEGKGYAPUBWDD-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.94
Rot. Bonds2

About 2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane

2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane (PubChem CID 175208692) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane.

Molecular Properties

Compound Name2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane
PubChem CID175208692
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane
SMILESCC1(C)OCC1C1C=CC=CC1c1ccccc1
InChIInChI=1S/C17H20O/c1-17(2)16(12-18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,14-16H,12H2,1-2H3
InChIKeyDWEGKGYAPUBWDD-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 171904735
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
9-(1,3,3-trimethyl-5-phenyl-2,3a,4,5,6,6a-hexahydropentalen-1-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59897289
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 11492874
(6-bromocyclohexa-2,4-dien-1-yl)benzene
CID 126636127
(NZ)-N-[(3Z)-3-hydroxyimino-2-phenyl-3a,7a-dihydroinden-1-ylidene]hydroxylamine
CID 88882741
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
ethane;2-phenyloxirane
CID 54171856
(2S)-2-methyl-2-phenyloxirane
CID 11629614
(1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene
CID 7336270

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane?
The IUPAC name of 2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane (CID 175208692) is 2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane.
What is the SMILES notation for 2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane?
The canonical SMILES for 2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane is CC1(C)OCC1C1C=CC=CC1c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane?
The InChIKey is DWEGKGYAPUBWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-17(2)16(12-18-17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,14-16H,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane?
2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane has a molecular weight of 240.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(6-phenylcyclohexa-2,4-dien-1-yl)oxetane is sourced from PubChem (CID 175208692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).