1,3-Benzodioxole, hexahydro-2-methyl-
Basic information
- CAS
61335-43-1- Standard SMILES
CC1OC2CCCCC2O1- InChIKey
FSTBEOFRCQYUKL-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, hexahydro-2-methyl-
- IUPAC
- 2-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
Names & synonyms
1,3-Benzodioxole, hexahydro-2-methyl-61335-43-1DTXSID50311734RefChem:217896DTXCID50262858NSC245092SCHEMBL649579SCHEMBL649580NSC-2450922-Methylhexahydro-2H-1,3-benzodioxole
Database identifiers
- CAS
61335-43-1- PubChem CID
- 316733
- DTXSID
DTXSID50311734- Nikkaji
- J2.861.371G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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