Benzene, (3,3-dimethoxy-1-propenyl)-, monohexyl deriv.
Basic information
- CAS
29896-45-5- Standard SMILES
CCCCCCc1ccc(C=CC(OC)OC)cc1- InChIKey
JOGSEXPLVUGVOJ-UHFFFAOYSA-N- Molecular formula
- C17H26O2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.19328007
Names & identifiers
- Preferred name
- Benzene, (3,3-dimethoxy-1-propenyl)-, monohexyl deriv.
- IUPAC
- 1-(3,3-dimethoxyprop-1-enyl)-4-hexylbenzene
- English name
- hexyl-1,1-dimethoxy-3-phenylprop-2-ene
- Molecular formula
- C17H26O2
- Molecular weight
- 262.38714
Names & synonyms
Benzene, (3,3-dimethoxy-1-propenyl)-, monohexyl deriv.DTXSID8067527RefChem:323134DTXCID0038095NS00022010Hexylcinnamaldehyde dimethyl acetalhexyl-1,1-dimethoxy-3-phenylprop-2-ene1-(3,3-Dimethoxy-1-propen-1-yl)-4-hexylbenzene
Database identifiers
- CAS
29896-45-5- PubChem CID
- 122500
- DTXSID
DTXSID8067527
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Odor
- 100 % · at 100.00 %. fresh green fatty foliage woody
- Odor Type
- green
- LogP
- 5.324 · 5.324 (est)
- EPA Substance Registry System
- Benzene, (3,3-dimethoxy-1-propenyl)-, monohexyl deriv. (29896-45-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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