1,1-Dibutoxy-isobutane
Basic information
- CAS
13112-62-4- Standard SMILES
CCCCOC(OCCCC)C(C)C- InChIKey
CREOWTMHZJTOFH-UHFFFAOYSA-N- Molecular formula
- C12H26O2
- Average molar mass
- 202.33 g/mol
- Monoisotopic mass
- 202.19328007
Overview
Butane, 1,1'-[(2-methylpropylidene)bis(oxy)]bis- has been reported in Mosla chinensis with data available.
Names & identifiers
- Preferred name
- 1,1-Dibutoxy-isobutane
- IUPAC
- 1,1-dibutoxy-2-methylpropane
Names & synonyms
13112-62-41,1-Dibutoxy-isobutane1-(1-Butoxy-2-methylpropoxy)butane1,1-dibutoxyisobutaneButane, 1,1'-[(2-methylpropylidene)bis(oxy)]bis-SCHEMBL7791270SCHEMBL27660690DTXSID00337863CREOWTMHZJTOFH-UHFFFAOYSA-N1-(1-Butoxy-2-methylpropoxy)butane #
Database identifiers
- CAS
13112-62-4- PubChem CID
- 545177
- DTXSID
DTXSID00337863- Nikkaji
- J24.148B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 103
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Related reactions
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Compound notes
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