Heptane, 1,1,3-triethoxy-
Basic information
- CAS
54305-97-4- Standard SMILES
CCCCC(CC(OCC)OCC)OCC- InChIKey
LGHYVXDAOJQRAV-UHFFFAOYSA-N- Molecular formula
- C13H28O3
- Average molar mass
- 232.36 g/mol
- Monoisotopic mass
- 232.20384475
Names & identifiers
- Preferred name
- Heptane, 1,1,3-triethoxy-
- IUPAC
- 1,1,3-triethoxyheptane
- English name
- 1,1,3-triethoxyheptane
- Molecular formula
- C13H28O3
- Molecular weight
- 232.36
Names & synonyms
1,1,3-TriethoxyheptaneHeptane, 1,1,3-triethoxy-EINECS 259-083-9DTXSID10886094RefChem:145655DTXCID701025436259-083-954305-97-4SCHEMBL28750442LGHYVXDAOJQRAV-UHFFFAOYSA-NDB-311281NS00057380
Database identifiers
- CAS
54305-97-4- PubChem CID
- 108231
- DTXSID
DTXSID10886094- EC Number
- 259-083-9
- Nikkaji
- J266.856D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- EPA Substance Registry System
- 1 · Heptane, 1,1,3-triethoxy- (54305-97-4)
- TSCA
- TSCA listed
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
Regulatory InformationChemical: Heptane, 1,1,3-triethoxy-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptane, 1,1,3-triethoxy-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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