Basic information
- CAS
17312-57-1- Standard SMILES
CCCCCCCCCC(C)CC- InChIKey
GRJUENNHVNYCHD-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Overview
3-methyldodecane has been reported in Platynereis dumerilii with data available.
Names & identifiers
- Preferred name
- 3-Methyldodecane
- IUPAC
- 3-methyldodecane
- English name
- DODECANE,3-METHYL-
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
3-METHYLDODECANE17312-57-1Dodecane, 3-methyl-F3L2C5FRG8DTXSID00873317RefChem:504207DTXCID70820813DODECANE,3-METHYL-xi-3-MethyldodecaneUNII-F3L2C5FRG8SCHEMBL102332SCHEMBL102914
Show more names
SCHEMBL672783SCHEMBL3335779SCHEMBL4806963SCHEMBL5049765SCHEMBL5683936SCHEMBL5984502SCHEMBL16178853SCHEMBL28314155
Database identifiers
- CAS
17312-57-1- PubChem CID
- 28469
- DTXSID
DTXSID00873317- UNII
- F3L2C5FRG8
- Nikkaji
- J125.244E
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 86
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Melting point
- -53 °C · -53°C
- Boiling point
- 230.3 °C · 230.3°C
- Density
- 0.7563 · 0.7563
- refractive index
- 1.4249 · 1.4249
- Henry's Law Constant
- 1.5 · 1.5×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 7.48 · 7.480 (est)
- FDA UNII
- 3 L2C5FRG8 · F3L2C5FRG8
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee 2,6,10-Trimethyldodecane.
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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