Sulfurous acid, cyclohexylmethyl tridecyl ester
Basic information
- Standard SMILES
CCCCCCCCCCCCCOS(=O)OCC1CCCCC1- InChIKey
KMQABTFHISJSSH-UHFFFAOYSA-N- Molecular formula
- C20H40O3S
- Average molar mass
- 360.6 g/mol
- Monoisotopic mass
- 360.26981631
Names & identifiers
- Preferred name
- Sulfurous acid, cyclohexylmethyl tridecyl ester
- IUPAC
- cyclohexylmethyl tridecyl sulfite
Names & synonyms
Sulfurous acid, cyclohexylmethyl tridecyl esterKMQABTFHISJSSH-UHFFFAOYSA-NDTXSID301367193
Database identifiers
- PubChem CID
- 6421702
- DTXSID
DTXSID301367193
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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