Basic information
- CAS
17612-35-0- Standard SMILES
CCCC1OC1(C)C- InChIKey
ZWMFGIJPJXEKCV-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 2,2-Dimethyl-3-propyloxirane
- IUPAC
- 2,2-dimethyl-3-propyloxirane
- English name
- 2,3-Epoxy-2-methylhexane
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
2,2-DIMETHYL-3-PROPYLOXIRANE17612-35-0DTXSID60938759RefChem:1059125DTXCID101367280Hexane, 2,3-epoxy-2-methyl-Oxirane, 2,2-dimethyl-3-propyl-SCHEMBL1262344SCHEMBL185497812,2-Dimethyl-3-propyloxirane #ZWMFGIJPJXEKCV-UHFFFAOYSA-N2,3-Epoxy-2-methylhexane
Database identifiers
- CAS
17612-35-0- PubChem CID
- 28639
- DTXSID
DTXSID60938759- Nikkaji
- J121.645G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.4
Physicochemical properties
- Boiling point
- 102.5 · 102.5-103 °C(Press: 747 Torr)
- Density
- 1.351 g/cm3 · 1.351 g/cm3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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