1-(3-Pentoxy)-1,4-cyclohexadiene
Basic information
- CAS
98677-93-1- Standard SMILES
CCC(CC)OC1=CCC=CC1- InChIKey
JVAURADNRYUEAI-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- 1-(3-Pentoxy)-1,4-cyclohexadiene
- IUPAC
- 1-pentan-3-yloxycyclohexa-1,4-diene
Names & synonyms
1-(3-Pentoxy)-1,4-cyclohexadiene98677-93-1DTXSID602437741-[(Pentan-3-yl)oxy]cyclohexa-1,4-diene
Database identifiers
- CAS
98677-93-1- PubChem CID
- 145332
- DTXSID
DTXSID60243774
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
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Compound notes
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