Basic information
- CAS
56771-49-4- Standard SMILES
C1CC2=C(C1)C1(CC2)CO1- InChIKey
YDVRLTUPPMJDKV-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Names & identifiers
- Preferred name
- 3',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene)
- IUPAC
- spiro[2,3,4,5-tetrahydro-1H-pentalene-6,2'-oxirane]
- English name
- 3,4,5,6-Tetrahydrospiro[2H-pentalene-1,2'-oxirane]
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
56771-49-43',4',5',6'-Tetrahydrospiro(oxirane-2,1'(2'H)-pentalene)3',4',5',6'-Tetrahydrospiro[oxirane-2,1'(2'H)-pentalene]RefChem:269332Spiro[oxirane-2,1'(2'H)-pentalene], 3',4',5',6'-tetrahydro-YDVRLTUPPMJDKV-UHFFFAOYSA-N3',4',5',6'-tetrahydro-2'H-spiro[oxirane-2,1'-pentalene]DTXSID701200713DB-2938283,4,5,6-Tetrahydrospiro[2H-pentalene-1,2'-oxirane]3a(2),4a(2),5a(2),6a(2)-Tetrahydrospiro[oxirane-2,1a(2)(2a(2)H)-pentalene]
Database identifiers
- CAS
56771-49-4- PubChem CID
- 565009
- DTXSID
DTXSID701200713- Nikkaji
- J114.468E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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