Basic information
- CAS
13410-45-2- Standard SMILES
CCCCCCCCCCCCCCCCCCCCC(C)CC- InChIKey
WCAGWYVPTZQWEN-UHFFFAOYSA-N- Molecular formula
- C24H50
- Average molar mass
- 338.7 g/mol
- Monoisotopic mass
- 338.3912516
Overview
3-methyltricosane has been reported in Citrus reticulata, Citrus deliciosa, and other organisms with data available.
Names & identifiers
- Preferred name
- 3-Methyltricosane
- IUPAC
- 3-methyltricosane
- English name
- 3-Methyltricosane
- Molecular formula
- C24H50
- Molecular weight
- 338.65
Names & synonyms
3-Methyltricosane13410-45-2TR5VK47R39DTXSID601316418RefChem:94973DTXCID301746270Tricosane, 3-methyl-3-Methyl-N-tricosane3-methyl-tricosaneSCHEMBL200600SCHEMBL5984958SCHEMBL7888892
Show more names
SCHEMBL10579757SCHEMBL10579761SCHEMBL27161894SCHEMBL28206542LMFA11000407MFCD30474879AKOS028111466AS-57264
Database identifiers
- CAS
13410-45-2- PubChem CID
- 528561
- DTXSID
DTXSID601316418- UNII
- TR5VK47R39
Properties
Computed structural properties
- XLogP
- 12.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 20
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 411.8 · 411.8±12.0 °C(Predicted)
- Density
- 0.796 · 0.796±0.06 g/cm3(Predicted)
- LogP
- 12.779 · 12.779 (est)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers3 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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