Dimethyl 4,4'-cyclohexane-1,4-diyldibutanoate
Basic information
- CAS
6337-63-9- Standard SMILES
COC(=O)CCCC1CCC(CCCC(=O)OC)CC1- InChIKey
UCYSBLCMSNQFGI-UHFFFAOYSA-N- Molecular formula
- C16H28O4
- Average molar mass
- 284.39 g/mol
- Monoisotopic mass
- 284.19875937
Names & identifiers
- Preferred name
- Dimethyl 4,4'-cyclohexane-1,4-diyldibutanoate
- IUPAC
- methyl 4-[4-(4-methoxy-4-oxobutyl)cyclohexyl]butanoate
Names & synonyms
6337-63-9dimethyl 4,4'-cyclohexane-1,4-diyldibutanoateNSC37513DTXSID90284514NSC-37513Dimethyl 4,4'-(cyclohexane-1,4-diyl)dibutanoate
Database identifiers
- CAS
6337-63-9- PubChem CID
- 235779
- DTXSID
DTXSID90284514
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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