1-Penten-3-ol, 4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)-
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Basic information
- CAS
58344-48-2- Standard SMILES
COc1cc(OC)c(OC)cc1/C=C/C(O)C(C)(C)C- InChIKey
XYNNXBRGINAKIT-UHFFFAOYSA-N- Molecular formula
- C16H24O4
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.16745924
Names & identifiers
- Preferred name
- 1-Penten-3-ol, 4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)-
- IUPAC
- (E)-4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-ol
- English name
- 1-(2,4,5-Trimethoxyphenyl)-4,4-dimethyl-1-penten-3-ol
- Molecular formula
- C16H24O4
- Molecular weight
- 280.36
Names & synonyms
1-Penten-3-ol, 4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)-58344-48-2RefChem:1056211BRN 22824874,4-Dimethyl-1-(2,4,5-trimethoxyphenyl)-1-penten-3-ol1-(2,4,5-Trimethoxyphenyl)-4,4-dimethyl-1-penten-3-ol
Database identifiers
- CAS
58344-48-2- PubChem CID
- 6446403
- Nikkaji
- J65.621F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
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Compound notes
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