Basic information
- CAS
98677-92-0- Standard SMILES
CCC(CC)OC1=CCCC=C1- InChIKey
OYRUAAIPXOFPBU-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- 2-(3-Pentoxy)-1,3-cyclohexadiene
- IUPAC
- 2-pentan-3-yloxycyclohexa-1,3-diene
Names & synonyms
2-(3-Pentoxy)-1,3-cyclohexadiene98677-92-0DTXSID002437732-[(Pentan-3-yl)oxy]cyclohexa-1,3-diene
Database identifiers
- CAS
98677-92-0- PubChem CID
- 145331
- DTXSID
DTXSID00243773
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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