| CAS Number | 918-83-2 |
| Catalog Number | AG00J2V8(AGN-PC-00KTQW) |
| Chemical Name | 2,2-dimethyl-3-buten-1-ol |
| IUPAC Name | 2,2-dimethylbut-3-en-1-ol |
| InChI | InChI=1S/C6H12O/c1-4-6(2,3)5-7/h4,7H,1,5H2,2-3H3 |
| InChI Key | ZLVDVZPJMSRRNO-UHFFFAOYSA-N |
| MDL Number | MFCD22413979 |
| Molecular Formula | C6H12O |
| Molecular Weight | 100.1589 |
| SMILES | C(=C)C(C)(C)CO |
| Synonyms | 2,2-dimethyl-3-buten-1-ol,
918-83-2,
2,2-Dimethylbut-3-en-1-ol,
2,2-dimethyl-but-3-en-1-ol,
SCHEMBL714191,
2,2-Dimethyl-3-butene-1-ol,
3-Buten-1-ol, 2,2-dimethyl-,
ALBB-022975,
MFCD22413979,
ZINC39392034,
AKOS015998051,
Y-8490,
|
| Complexity | 64.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 100.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 100.161g/mol |
| Monoisotopic Mass | 100.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number