Basic information
- CAS
13002-13-6- Standard SMILES
CCC(OCCC(C)C)OCCC(C)C- InChIKey
MQOHVHXEZYLDJW-UHFFFAOYSA-N- Molecular formula
- C13H28O2
- Average molar mass
- 216.36 g/mol
- Monoisotopic mass
- 216.20893013
Overview
See also: Butane, 1,1'-[propylidenebis(oxy)]bis[3-methyl- (annotation moved to).
Names & identifiers
- Preferred name
- 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane
- IUPAC
- 3-methyl-1-[1-(3-methylbutoxy)propoxy]butane
- English name
- 1,1'-[propylidenebis(oxy)]bis(3-methylbutane)
- Molecular formula
- C13H28O2
- Molecular weight
- 216.36
Names & synonyms
3-methyl-1-[1-(3-methylbutoxy)propoxy]butane13002-13-61,1'-(Propylidenebis(oxy))bis(3-methylbutane)1,1'-[propylidenebis(oxy)]bis(3-methylbutane)EINECS 235-840-91,1/'-[propylidenebis(oxy)]bis(3-methylbutane)SCHEMBL5085928PROPANAL DIISOAMYL ACETALDTXSID00156298MQOHVHXEZYLDJW-UHFFFAOYSA-NNS00024084Q63409744
Show more names
Propionaldehyde diisopentyl acetalPropionaldehyde bis(3-methylbutyl)acetalButane, 1,1'-[propylidenebis(oxy)]bis[3-methyl-
Database identifiers
- CAS
13002-13-6- PubChem CID
- 83037
- DTXSID
DTXSID00156298- EC Number
- 235-840-9
- Nikkaji
- J317.762I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 222.6 · 222.6±8.0 °C(Predicted)
- Density
- 0.841 · 0.841±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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