| CAS Number | 6226-30-8 |
| Catalog Number | AG018S79(AGN-PC-0T3HTO) |
| Chemical Name | 2,2-dicyclopropylethan-1-ol |
| IUPAC Name | 2,2-dicyclopropylethanol |
| InChI | InChI=1S/C8H14O/c9-5-8(6-1-2-6)7-3-4-7/h6-9H,1-5H2 |
| InChI Key | AAQNBBUSRZYARG-UHFFFAOYSA-N |
| MDL Number | MFCD21324319 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | OCC(C1CC1)C1CC1 |
| Synonyms | 2,2-dicyclopropylethan-1-ol,
2,2-dicyclopropylethanol,
6226-30-8,
SCHEMBL7810433,
AAQNBBUSRZYARG-UHFFFAOYSA-N,
ZINC39184545,
AKOS015262977,
F8888-3559,
CID10701842,
|
| Complexity | 91.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number