Pentane, 1,1,3-triethoxy-3-methyl-
Basic information
- CAS
72152-74-0- Standard SMILES
CCOC(CC(C)(CC)OCC)OCC- InChIKey
RQRQTICYTFCEHX-UHFFFAOYSA-N- Molecular formula
- C12H26O3
- Average molar mass
- 218.33 g/mol
- Monoisotopic mass
- 218.18819469
Names & identifiers
- Preferred name
- Pentane, 1,1,3-triethoxy-3-methyl-
- IUPAC
- 1,1,3-triethoxy-3-methylpentane
- English name
- 1,1,3-Triethoxy-3-methylpentane
- Molecular formula
- C12H26O3
- Molecular weight
- 218.33
Names & synonyms
1,1,3-Triethoxy-3-methylpentanePentane, 1,1,3-triethoxy-3-methyl-DTXSID00888082RefChem:171422DTXCID40102736472152-74-0RQRQTICYTFCEHX-UHFFFAOYSA-N
Database identifiers
- CAS
72152-74-0- PubChem CID
- 170335
- DTXSID
DTXSID00888082- Nikkaji
- J447.067B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- EPA Substance Registry System
- 1 · Pentane, 1,1,3-triethoxy-3-methyl- (72152-74-0)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentane, 1,1,3-triethoxy-3-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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