Basic information
- CAS
6624-91-5- Standard SMILES
CC1(CCC(=O)OC2CCCCC2)OCCO1- InChIKey
PDWWQBMZXPPOMZ-UHFFFAOYSA-N- Molecular formula
- C13H22O4
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.15180918
Names & identifiers
- Preferred name
- Cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
- IUPAC
- cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
- English name
- cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
- Molecular formula
- C13H22O4
- Molecular weight
- 242.31
Names & synonyms
NSC53853cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate6624-91-5NSC-53853NCIStruc1_000508NCIStruc2_000349CHEMBL1741704DTXSID40288027NCI53853CCG-38252NCGC00013660NCGC00013660-02
Show more names
1,3-Dioxolane-2-propanoic acid, 2-methyl-, cyclohexyl ester
NCGC00096772-01NCI60_004324
Database identifiers
- CAS
6624-91-5- PubChem CID
- 243715
- DTXSID
DTXSID40288027- ChEMBL
CHEMBL1741704
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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