Basic information
- CAS
67468-55-7- Standard SMILES
CCC(C)(C)c1ccc(C=C(C)C=O)cc1- InChIKey
VYLZDKRGDLITAA-UHFFFAOYSA-N- Molecular formula
- C15H20O
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.15141526
Names & identifiers
- Preferred name
- 2-Methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-enal
- IUPAC
- 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-enal
- English name
- 3-[4-(1,1-Dimethylpropyl)phenyl]-2-methyl-2-propenal
- Molecular formula
- C15H20O
- Molecular weight
- 216.32
Names & synonyms
67468-55-73-[4-(1,1-Dimethylpropyl)phenyl]-2-methyl-2-propenal2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-enalAmorolfine Impurity 50SCHEMBL11459683DTXSID60694085VYLZDKRGDLITAA-UHFFFAOYSA-N3-(p-tert.amyl-phenyl)-2-methyl-acrolein3-(p-tert.amyl -phenyl)-2-methyl-acrolein(Z)-2-methyl-3-(4-tert-pentylphenyl)acrylaadehyde2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]-2-propenal2-Propenal,3-[4-(1,1-dimethylpropyl)phenyl]-2-methyl-
Database identifiers
- CAS
67468-55-7- PubChem CID
- 53395197
- DTXSID
DTXSID60694085
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 317.3 · 317.3±11.0 °C(Predicted)
- Density
- 0.951 · 0.951
Chemistry & industry
Suppliers10 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
扬州千行化学科技有限公司18051976595
湖北摩科生物科技有限公司18576690171 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
Related reactions
6 records
Compound notes
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