2-Methyloctacosane
Basic information
- CAS
1560-98-1- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C- InChIKey
YGCGPCUUTAKOEU-UHFFFAOYSA-N- Molecular formula
- C29H60
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 408.46950191
Overview
2-methyloctacosane is an organic molecular entity. It has a role as an animal metabolite.
Names & identifiers
- Preferred name
- 2-Methyloctacosane
- IUPAC
- 2-methyloctacosane
- English name
- 27-Methyloctacosane
- Molecular formula
- C29H60
- Molecular weight
- 408.79
Names & synonyms
2-Methyloctacosane1560-98-1Octacosane, 2-methyl-GQC0O92KJKRefChem:1063838Isononacosane27-Methyloctacosane52701-71-0Heptacosane, dimethyl-2-Methyl-OctacosaneUNII-GQC0O92KJKSCHEMBL200216
Show more names
SCHEMBL3129996SCHEMBL4404171SCHEMBL5986344SCHEMBL27162080CHEBI:233574DTXSID601361168LMFA11000349DB-243174
Database identifiers
- CAS
1560-98-1、52701-71-0- PubChem CID
- 519147
- DTXSID
DTXSID601361168- ChEBI
CHEBI:233574- UNII
- GQC0O92KJK
- Nikkaji
- J128.901B
Properties
Computed structural properties
- XLogP
- 15.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 25
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Melting point
- 43.7 °C · 43.7°C (estimate)
- Boiling point
- 435.99 °C · 435.99°C (estimate)
- Density
- 0.8084 · 0.8084 (estimate)
- refractive index
- 1.4539 · 1.4539 (estimate)
- LogP
- 15.981 · 15.981 (est)
- FDA UNII
- 0 O92KJK · GQC0O92KJK
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses27-Methyloctacosane is found in Solanum tuberosum, Coptotermes formosanus, tacheta domesticus L and other organisms. It is an important constituent of 2-methylalkanes in the hydrocarbon composition of the common cricket (tacheta domesticus L.), with a content of about 8%; it is also the most common constituent of the surface lipids of hickory weevil larvae. It is commonly used in chemical analyses and experimental studies.
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Compound notes
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