3-Methyloctadecane
Basic information
- CAS
6561-44-0- Standard SMILES
CCCCCCCCCCCCCCCC(C)CC- InChIKey
PGZRTPKNSFMAOP-UHFFFAOYSA-N- Molecular formula
- C19H40
- Average molar mass
- 268.5 g/mol
- Monoisotopic mass
- 268.31300128
Overview
3-methyloctadecane is an alkane.
Names & identifiers
- Preferred name
- 3-Methyloctadecane
- IUPAC
- 3-methyloctadecane
- English name
- 3-Methyloctadecane
- Molecular formula
- C19H40
- Molecular weight
- 268.52
Names & synonyms
3-Methyloctadecane6561-44-0DTXSID10984185RefChem:1068317DTXCID701411403Octadecane, 3-methyl-3-methyl-octadecaneSCHEMBL102070SCHEMBL103793SCHEMBL5984394SCHEMBL6764066SCHEMBL10583118
Show more names
octadecane,3-methyl-3-Methyloctadecane in isooctane
SCHEMBL10583127SCHEMBL20640390CHEBI:88669Q27160552
Database identifiers
- CAS
6561-44-0- PubChem CID
- 110905
- DTXSID
DTXSID10984185- ChEBI
CHEBI:88669- Nikkaji
- J530.366D
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 0.5 °C · 0.5°C
- Boiling point
- 327 °C · 327°C
- Density
- 0.7849 · 0.7849
- refractive index
- 1.44 · 1.4400
- LogP
- 10.67 · 10.670 (est)
Chemistry & industry
Additional notes
DefinitionChEBI: 3-Methyloctadecane is an alkane.
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Compound notes
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