3-Methoxy-3-methylhexane
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Basic information
- CAS
74630-91-4- Standard SMILES
CCCC(C)(CC)OC- InChIKey
PCSFHUVPGSODTP-UHFFFAOYSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Overview
3-methoxy-3-methylhexane is an ether consists of a hexane chain substituted by a methoxy and a methyl group at position 3. It has a role as a human metabolite. It derives from a hydride of a hexane.
Names & identifiers
- Preferred name
- 3-Methoxy-3-methylhexane
- IUPAC
- 3-methoxy-3-methylhexane
- English name
- 3-Methoxy-3-methylhexane
- Molecular formula
- C8H18O
- Molecular weight
- 130.23
Names & synonyms
3-methoxy-3-methylhexaneCHEBI:84286RefChem:1068120Hexane, 3-methoxy-3-methyl-74630-91-4ethyl t-amyl methyl etherSCHEMBL1490802SCHEMBL28293973SCHEMBL28448216methyl 3-methylhexan-3-yl etherDTXSID00339943PCSFHUVPGSODTP-UHFFFAOYSA-N
Show more names
1-Ethyl-1-methylbutyl methyl ether #Q27157651
Database identifiers
- CAS
74630-91-4- PubChem CID
- 560189
- DTXSID
DTXSID00339943- ChEBI
CHEBI:84286- Nikkaji
- J121.075K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 71
Physicochemical properties
- Boiling point
- 126.1 · 126.1±8.0 °C(Predicted)
- Density
- 0.779 · 0.779±0.06 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 3-methoxy-3-methylhexane is an ether consists of a hexane chain substituted by a methoxy and a methyl group at position 3. It has a role as a human metabolite. It derives from a hydride of a hexane.
Related reactions
0 records
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Compound notes
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