Heptane, 2,5,5-trimethyl-
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Basic information
- CAS
1189-99-7- Standard SMILES
CCC(C)(C)CCC(C)C- InChIKey
SOYLPZSOEXZMLE-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- Heptane, 2,5,5-trimethyl-
- IUPAC
- 2,5,5-trimethylheptane
- English name
- 2,5,5-Trimethylheptane.
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
Heptane, 2,5,5-trimethyl-1189-99-7DTXSID50152260RefChem:1086435DTXCID10747512,5,5-TRIMETHYLHEPTANE2,5,5-Trimethylheptane.2,5,5-trimethyl-heptaneSCHEMBL598505SCHEMBL1444908SCHEMBL1782229SCHEMBL4689492
Show more names
SCHEMBL5984891SCHEMBL7941202SCHEMBL27894945SCHEMBL28293331LMFA11000602DB-239537NS00096220Q5639797
Database identifiers
- CAS
1189-99-7- PubChem CID
- 14478
- DTXSID
DTXSID50152260- Nikkaji
- J129.399K
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 80
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -53.99 °C · -53.99°C
- Boiling point
- 152.81 °C · 152.81°C
- Density
- 0.736 · 0.7360
- refractive index
- 1.4126 · 1.4126
- Henry's Law Constant
- 1.1 · 1.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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