3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol
Basic information
- CAS
69161-48-4- Standard SMILES
C=C(C)CCOC(C)(C)CCOC(C)(C)CCO- InChIKey
AMHIUBLQGDHLIM-UHFFFAOYSA-N- Molecular formula
- C15H30O3
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.21949481
Names & identifiers
- Preferred name
- 3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol
- IUPAC
- 3-methyl-3-[3-methyl-3-(3-methylbut-3-enoxy)butoxy]butan-1-ol
- English name
- 3-[3-(3-Methyl-3-butenyloxy)-3-methylbutoxy]-3-methyl-1-butanol
- Molecular formula
- C15H30O3
- Molecular weight
- 258.4
Names & synonyms
3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-olRefChem:27014369161-48-4SCHEMBL26281820AMHIUBLQGDHLIM-UHFFFAOYSA-NDTXSID001345958Q633916593-Methyl-3-(3-methyl-3-[(3-methyl-3-butenyl)oxy]butoxy)-1-butanol #3-[3-(3-Methyl-3-butenyloxy)-3-methylbutoxy]-3-methyl-1-butanol1-Butanol, 3-methyl-3-[3-methyl-3-[(3-methyl-3-buten-1-yl)oxy]butoxy]-
Database identifiers
- CAS
69161-48-4- PubChem CID
- 549672
- DTXSID
DTXSID001345958- Nikkaji
- J45.327G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 340.3 · 340.3±32.0 °C(Predicted)
- Density
- 0.918 · 0.918±0.06 g/cm3(Predicted)
- pka
- 15.2 · 15.20±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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