1,3-Benzodioxol-5-ylmethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Basic information
- CAS
6412-98-2- Standard SMILES
CC(C)=CC1C(C(=O)OCc2ccc3c(c2)OCO3)C1(C)C- InChIKey
JMTKOBGLLUKPPX-UHFFFAOYSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15180918
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-ylmethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
- IUPAC
- 1,3-benzodioxol-5-ylmethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
6412-98-2NSC405427NSC 4054271,3-Benzodioxol-5-ylmethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylateDTXSID30982623NSC-405427Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 1,3-benzodioxol-5-ylmethyl ester(2H-1,3-Benzodioxol-5-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
Database identifiers
- CAS
6412-98-2- PubChem CID
- 101141
- DTXSID
DTXSID30982623
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…