[2-(Propan-2-yl)cyclobut-1-en-1-yl]benzene
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Basic information
- CAS
647028-09-9- Standard SMILES
CC(C)C1=C(c2ccccc2)CC1- InChIKey
CNOWCTPMFRPYJT-UHFFFAOYSA-N- Molecular formula
- C13H16
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.12520051
Names & identifiers
- Preferred name
- [2-(Propan-2-yl)cyclobut-1-en-1-yl]benzene
- IUPAC
- (2-propan-2-ylcyclobuten-1-yl)benzene
- English name
- Benzene, [2-(1-methylethyl)-1-cyclobuten-1-yl]- (9CI)
- Molecular formula
- C13H16
- Molecular weight
- 172.27
Names & synonyms
647028-09-9[2-(Propan-2-yl)cyclobut-1-en-1-yl]benzeneDTXSID80478122(2-isopropyl-1-cyclobuten-1-yl)benzeneBenzene, [2-(1-methylethyl)-1-cyclobuten-1-yl]-Benzene, [2-(1-methylethyl)-1-cyclobuten-1-yl]- (9CI)
Database identifiers
- CAS
647028-09-9- PubChem CID
- 12128366
- DTXSID
DTXSID80478122
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 249.7 · 249.7±10.0 °C(Predicted)
- Density
- 0.975 · 0.975±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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