1,1-Dipropoxyheptane
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Basic information
- CAS
6290-36-4- Standard SMILES
CCCCCCC(OCCC)OCCC- InChIKey
NBPQSTOYCABCNH-UHFFFAOYSA-N- Molecular formula
- C13H28O2
- Average molar mass
- 216.36 g/mol
- Monoisotopic mass
- 216.20893013
Names & identifiers
- Preferred name
- 1,1-Dipropoxyheptane
- IUPAC
- 1,1-dipropoxyheptane
- English name
- HEPTANALDIPROPYLACETAL
- Molecular formula
- C13H28O2
- Molecular weight
- 216.36
Names & synonyms
1,1-Dipropoxyheptane6290-36-4Heptanal dipropyl acetalNSC66451,1-Dipropoxyheptane #SCHEMBL14778143NBPQSTOYCABCNH-UHFFFAOYSA-DTXSID90278216NBPQSTOYCABCNH-UHFFFAOYSA-NNSC-6645InChI=1/C13H28O2/c1-4-7-8-9-10-13(14-11-5-2)15-12-6-3/h13H,4-12H2,1-3H3HEPTANALDIPROPYLACETAL
Show more names
Heptane, 1,1-dipropoxy-
Database identifiers
- CAS
6290-36-4- PubChem CID
- 221689
- DTXSID
DTXSID90278216- Nikkaji
- J308.962B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- CAS DataBase Reference
- 6290 · 6290-36-4
Related reactions
0 records
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Compound notes
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