Basic information
- CAS
121954-61-8- Standard SMILES
CCCc1cccc(C(C)C)c1- InChIKey
DSHOOBWVUTWYNK-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- Benzene, 1-(1-methylethyl)-3-propyl
- IUPAC
- 1-propan-2-yl-3-propylbenzene
- English name
- Benzene, 1-(1-methylethyl)-3-propyl- (9CI)
- Molecular formula
- C12H18
- Molecular weight
- 162.27132
Names & synonyms
121954-61-8Benzene, 1-(1-methylethyl)-3-propylDTXSID50335995RefChem:323524DTXCID30287084DSHOOBWVUTWYNK-UHFFFAOYSA-N1-propan-2-yl-3-propylbenzene1-isoPropyl-3-n-PropylbenzeneBenzene, 1-(1-methylethyl)-3-propyl- (9CI)1-(propan-2-yl)-3-propylbenzene1-isopropyl-3-propylbenzeneSCHEMBL820644
Show more names
SCHEMBL1776652SCHEMBL7716825SCHEMBL11797022SCHEMBL16951348SCHEMBL16958295SCHEMBL16958298SCHEMBL21268444SCHEMBL27550642
Database identifiers
- CAS
121954-61-8- PubChem CID
- 528287
- DTXSID
DTXSID50335995- Nikkaji
- J437.509B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…