Basic information
- CAS
17302-32-8- Standard SMILES
CCC(C)CCCC(C)CC- InChIKey
YGPVLXJHRFZYJJ-UHFFFAOYSA-N- Molecular formula
- C11H24
- Average molar mass
- 156.31 g/mol
- Monoisotopic mass
- 156.18780077
Names & identifiers
- Preferred name
- 3,7-Dimethylnonane
- IUPAC
- 3,7-dimethylnonane
- English name
- Nonane,3,7-dimethyl-
- Molecular formula
- C11H24
- Molecular weight
- 156.31
Names & synonyms
3,7-DIMETHYLNONANE17302-32-8DTXSID80873315RefChem:91895DTXCID10820812YGPVLXJHRFZYJJ-UHFFFAOYSA-NNonane, 3,7-dimethyl-Nonane,3,7-dimethyl-SCHEMBL2686925SCHEMBL3284051SCHEMBL3888112SCHEMBL4655169
Show more names
SCHEMBL4655191SCHEMBL10624717SCHEMBL28053963LMFA11000616
Database identifiers
- CAS
17302-32-8- PubChem CID
- 28458
- DTXSID
DTXSID80873315- Nikkaji
- J125.009D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 66.1
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -57.06 °C · -57.06°C (estimate)
- Boiling point
- 184 °C · 184°C
- Density
- 0.7435 · 0.7435
- refractive index
- 1.4176 · 1.4176
- Henry's Law Constant
- 1 · 1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- 3 · Nonane, 3,7-dimethyl- (17302-32-8)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Applications
Uses3,7-Dimethylnonane is a research chemical of interest in the isomerization of n-dodecane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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