| CAS Number | 53229-41-7 |
| Catalog Number | AG00DT3F(AGN-PC-0JSHSO) |
| Chemical Name | 2-(3-methylbutyl)oxirane |
| IUPAC Name | 2-(3-methylbutyl)oxirane |
| InChI | InChI=1S/C7H14O/c1-6(2)3-4-7-5-8-7/h6-7H,3-5H2,1-2H3 |
| InChI Key | XXVUOMFVRJIVLH-UHFFFAOYSA-N |
| MDL Number | MFCD18970500 |
| Molecular Formula | C7H14O |
| Molecular Weight | 114.1855 |
| SMILES | CC(CCC1OC1)C |
| Synonyms | 2-(3-methylbutyl)oxirane,
Oxirane, (3-methylbutyl)-,
53229-41-7,
1,2-Epoxy-5-methylhexane,
2-Isopentyloxirane #,
AC1LBEWG,
(3-methylbutyl)oxirane,
SCHEMBL50349,
CTK1G1226,
DTXSID10336544,
XXVUOMFVRJIVLH-UHFFFAOYSA-N,
AKOS026744770,
2-Isopentyloxirane,
CID534451,
|
| Complexity | 68.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.188g/mol |
| Monoisotopic Mass | 114.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number