3-[(1-Methylethoxy)methyl]heptane
Basic information
- CAS
94200-86-9- Standard SMILES
CCCCC(CC)COC(C)C- InChIKey
GQQHEKOOHGFEED-UHFFFAOYSA-N- Molecular formula
- C11H24O
- Average molar mass
- 172.31 g/mol
- Monoisotopic mass
- 172.18271539
Names & identifiers
- Preferred name
- 3-[(1-Methylethoxy)methyl]heptane
- IUPAC
- 3-(propan-2-yloxymethyl)heptane
- English name
- 3-[(1-methylethoxy)methyl]heptane
- Molecular formula
- C11H24O
- Molecular weight
- 172.30766
Names & synonyms
94200-86-93-[(1-METHYLETHOXY)METHYL]HEPTANEEINECS 303-567-53-((1-Methylethoxy)methyl)heptaneRefChem:91963303-567-5SCHEMBL9192548SCHEMBL9192554SCHEMBL11441074DTXSID90916161GQQHEKOOHGFEED-UHFFFAOYSA-N3-{[(Propan-2-yl)oxy]methyl}heptane
Show more names
3-(propan-2-yloxymethyl)heptane
NS00065303
Database identifiers
- CAS
94200-86-9- PubChem CID
- 3023970
- DTXSID
DTXSID90916161- EC Number
- 303-567-5
- Nikkaji
- J319.127C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 89
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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