(3-Methyl-but-3-enyloxymethyl)-benzene
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Basic information
- CAS
58558-53-5- Standard SMILES
C=C(C)CCOCc1ccccc1- InChIKey
BBQJVCVEWSBWBN-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- (3-Methyl-but-3-enyloxymethyl)-benzene
- IUPAC
- 3-methylbut-3-enoxymethylbenzene
- English name
- 3-methylbut-3-enoxymethylbenzene
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
58558-53-5(3-methyl-but-3-enyloxymethyl)-benzeneDTXSID90454972RefChem:207726DTXCID80405791{[(3-METHYLBUT-3-EN-1-YL)OXY]METHYL}BENZENE3-methylbut-3-enoxymethylbenzene(((3-methylbut-3-en-1-yl)oxy)methyl)benzeneSCHEMBL1109806BBQJVCVEWSBWBN-UHFFFAOYSA-NMFCD25965030((3-methylbut-3-enyloxy)methyl)benzene
Show more names
Benzene, [[(3-methyl-3-buten-1-yl)oxy]methyl]-
SY543454[[(3-methyl-3-butene-1-yl)oxy]methyl]benzene
Database identifiers
- CAS
58558-53-5- PubChem CID
- 11095166
- DTXSID
DTXSID90454972- Nikkaji
- J357.457A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 145
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Related reactions
6 records
Compound notes
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