Hexahydro-1,3-benzodioxole
Basic information
- CAS
932-42-3- Standard SMILES
C1CCC2OCOC2C1- InChIKey
TYSYUUIDELSMQE-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- Hexahydro-1,3-benzodioxole
- IUPAC
- 3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
Names & synonyms
hexahydro-1,3-benzodioxole932-42-3RefChem:347517hexahydro-2H-1,3-benzodioxole7,9-dioxabicyclo[4.3.0]nonane3a,4,5,6,7,7a-hexahydro-1,3-benzodioxoleSCHEMBL648094SCHEMBL1864085SCHEMBL9435881SCHEMBL10623544DTXSID001311258
Database identifiers
- CAS
932-42-3- PubChem CID
- 287969
- DTXSID
DTXSID001311258- Nikkaji
- J801.499J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.1
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Compound notes
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