Basic information
- CAS
54676-39-0- Standard SMILES
CCCCC1C(C)CCCC1(C)C- InChIKey
PUUCZCJOATUHNE-UHFFFAOYSA-N- Molecular formula
- C13H26
- Average molar mass
- 182.35 g/mol
- Monoisotopic mass
- 182.20345083
Overview
2-BUTYL-1,1,3-TRIMETHYL-CYCLOHEXANE has been reported in Capsicum annuum with data available.
Names & identifiers
- Preferred name
- 2-Butyl-1,1,3-trimethylcyclohexane
- IUPAC
- 2-butyl-1,1,3-trimethylcyclohexane
- English name
- 2-Butyl-1,1,3-trimethyl-cyclohexane
- Molecular formula
- C13H26
- Molecular weight
- 182.35
Names & synonyms
2-Butyl-1,1,3-trimethylcyclohexane54676-39-0RefChem:1062667Cyclohexane, 2-butyl-1,1,3-trimethyl-2-BUTYL-1,1,3-TRIMETHYL-CYCLOHEXANESCHEMBL3661700SCHEMBL10426293DTXSID703385641,1,3-Trimethyl-2-butyl-cyclohexaneAKOS0062740962-Butyl-1,1,3-trimethylcyclohexane #1,3,3-trimethyl-2-(but-1-yl)-cyclohexane
Show more names
NS00096325
Database identifiers
- CAS
54676-39-0- PubChem CID
- 549926
- DTXSID
DTXSID70338564- Nikkaji
- J101.928G
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -30.49 °C · -30.49°C (estimate)
- Boiling point
- 230.78 °C · 230.78°C (estimate)
- Density
- 0.8292 · 0.8292
- refractive index
- 1.4563 · 1.4563
- EPA Substance Registry System
- 2 · Cyclohexane, 2-butyl-1,1,3-trimethyl- (54676-39-0)
Related reactions
2 records
Compound notes
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