Basic information
- CAS
6553-83-9- Standard SMILES
CCCCCOC(=O)C1CCCCC1- InChIKey
QLFARUWYJWNPLX-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Pentyl cyclohexanecarboxylate
- IUPAC
- pentyl cyclohexanecarboxylate
- English name
- pentyl cyclohexanecarboxylate
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
Pentyl cyclohexanecarboxylateEINECS 229-478-0Cyclohexanecarboxylic acid, pentyl esterAI3-33531DTXSID70215826RefChem:171513DTXCID00138317229-478-0QLFARUWYJWNPLX-UHFFFAOYSA-N6553-83-9Cyclohexanecarboxylic acid pentyl esterPentyl cyclohexanecarboxylate #
Show more names
SCHEMBL2249573SCHEMBL2835530SCHEMBL10985807NS00035886
Database identifiers
- CAS
6553-83-9- PubChem CID
- 81041
- DTXSID
DTXSID70215826- EC Number
- 229-478-0
- Nikkaji
- J225.187F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- LogP
- 4.36 · 4.360 (est)
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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