Basic information
- CAS
25117-31-1- Standard SMILES
CCCCCCCCC(C)CCCC- InChIKey
NFWBQMAWXUZCRJ-UHFFFAOYSA-N- Molecular formula
- C14H30
- Average molar mass
- 198.39 g/mol
- Monoisotopic mass
- 198.23475096
Names & identifiers
- Preferred name
- 5-Methyltridecane
- IUPAC
- 5-methyltridecane
- English name
- 5-Methyltridecane
- Molecular formula
- C14H30
- Molecular weight
- 198.39
Names & synonyms
5-MethyltridecaneTridecane, 5-methyl-25117-31-1DTXSID0058649RefChem:103226DTXCID8032336NFWBQMAWXUZCRJ-UHFFFAOYSA-N5-Methyltridecan5-methyl-tridecaneSCHEMBL103107SCHEMBL164551SCHEMBL673410
Show more names
SCHEMBL3458341SCHEMBL5086553SCHEMBL5984650SCHEMBL6136410SCHEMBL9513008SCHEMBL14812198SCHEMBL19920880SCHEMBL20448134
Database identifiers
- CAS
25117-31-1- PubChem CID
- 520182
- DTXSID
DTXSID0058649- Nikkaji
- J125.245C
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 96.2
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -23.46 °C · -23.46°C (estimate)
- Boiling point
- 245.07 °C · 245.07°C (estimate)
- Density
- 0.7777 · 0.7777 (estimate)
- refractive index
- 1.4161 · 1.4161 (estimate)
- LogP
- 7.684 · 7.684 (est)
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…