| CAS Number | 1224582-23-3 |
| Catalog Number | AG01BHJO |
| Chemical Name | Methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate |
| IUPAC Name | methyl 4-propan-2-yloxycyclohexane-1-carboxylate |
| InChI | InChI=1S/C11H20O3/c1-8(2)14-10-6-4-9(5-7-10)11(12)13-3/h8-10H,4-7H2,1-3H3 |
| InChI Key | LQSIDDBRTITWIG-UHFFFAOYSA-N |
| MDL Number | MFCD23134171 |
| Molecular Formula | C11H20O3 |
| Molecular Weight | 200.2747 |
| SMILES | O=C(C1CCC(OC(C)C)CC1)OC |
| Synonyms | methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate,
1224582-23-3,
SCHEMBL20500612,
SCHEMBL20500613,
ZINC163084671,
methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate, Mixture of isomers,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.278g/mol |
| Monoisotopic Mass | 200.141g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number