| CAS Number | 20599-16-0 |
| Catalog Number | AG00IXGD(AGN-PC-0N7FFE) |
| Chemical Name | 2-Methyloct-3-yn-2-ol |
| IUPAC Name | 2-methyloct-3-yn-2-ol |
| InChI | InChI=1S/C9H16O/c1-4-5-6-7-8-9(2,3)10/h10H,4-6H2,1-3H3 |
| InChI Key | GVCJLTJIXQROOE-UHFFFAOYSA-N |
| MDL Number | MFCD00516622 |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.2227 |
| SMILES | OC(C#CCCCC)(C)C |
| Synonyms | 2-methyloct-3-yn-2-ol,
20599-16-0,
2-methyl-3-octyn-2-ol,
2-Methyl-3-octyne-2-ol,
SCHEMBL8412732,
KS-000029TY,
ZINC39074074,
AKOS030240611,
NS-00066,
3-Octyn-2-ol, 2-methyl-,
CID10606826,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.226g/mol |
| Monoisotopic Mass | 140.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number