Cyclohexyl formate
PubChem CID: 20358
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| Compound Synonyms | CYCLOHEXYL FORMATE, Formic acid, cyclohexyl ester, 4351-54-6, Cyclohexanol, formate, FEMA No. 2353, UNII-ESO2F2836U, ESO2F2836U, EINECS 224-415-3, NSC 11766, Cyclohexyl ester of formic acid, AI3-30436, NSC-11766, formic acid cyclohexyl ester, DTXSID2063426, CYCLOHEXYL FORMATE [FHFI], Formic acid, cyclohexyl ester (purified), cyclohexyl ormate, SCHEMBL9432, DTXCID3040271, FEMA 2353, CHEBI:173489, BCP29270, NSC11766, AKOS006273757, DB-318967, NS00045221, Q27277345, Cyclohexyl ester of formic acid, Formic acid, cyclohexyl ester, 224-415-3 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Description | Flavouring ingredient |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.9 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclohexyl formate |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | 1.9 |
| Superclass | Organic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Molecular Formula | C7H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VUXKVKAHWOVIDN-UHFFFAOYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -2.041 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.101 |
| Synonyms | Cyclohexanol, formate, Cyclohexyl ester OF formic acid, Cyclohexyl formate, FEMA 2353, Formic acid, cyclohexyl ester, Cyclohexyl formic acid |
| Substituent Name | Carboxylic acid ester, Ether, Hydrocarbon derivative, Organooxygen compound, Aliphatic homomonocyclic compound |
| Compound Name | Cyclohexyl formate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 128.169 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -1.7248601999999997 |
| Inchi | InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2 |
| Smiles | C1CCC(CC1)OC=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Carboxylic acid esters |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients