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Substance Name: Oxetane, 3,3-dimethyl- (9CI)
RN: 6921-35-3
InChIKey: RVGLUKRYMXEQAH-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Tumor Data

Molecular Formula

  • C5-H10-O

Molecular Weight

  • 86.133
 
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Names and Synonyms

Synonyms

  • 1,3-Epoxy-2,2-dimethylpropane
  • 3,3-Dimethyloxetane
  • 3,3-Dimethyltrimethylene oxide
  • 5-17-01-00085 (Beilstein Handbook Reference)
  • beta,beta-Dimethyltrimethylene oxide
  • BRN 0102430

Systematic Names

  • Oxetane, 3,3-dimethyl- (9CI)
  • Propane, 1,3-epoxy-2,2-dimethyl-

Registry Numbers

CAS Registry Number

  • 6921-35-3

System Generated Number

  • 0006921353

Structure Descriptors

InChI

1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3

InChIKey

RVGLUKRYMXEQAH-UHFFFAOYSA-N

Smiles

C1(COC1)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 2gm/kg (2000mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 355, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 80.6 deg C   EXP
log P (octanol-water) 1.320 (none)   EST
Atmospheric OH Rate Constant 4.26E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.