Basic information
- CAS
98088-48-3- Standard SMILES
C=CCOC(CC=C)c1ccccc1- InChIKey
VQJJJPBNIXFEFB-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene
- IUPAC
- 1-prop-2-enoxybut-3-enylbenzene
- English name
- (1-Allyloxy-but-3-enyl)-benzene
- Molecular formula
- C13H16O
- Molecular weight
- 188.27
Names & synonyms
98088-48-3[1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene1-prop-2-enoxybut-3-enylbenzene(1-ALLYLOXY-BUT-3-ENYL)-BENZENE[1-(Allyloxy)-3-butenyl]benzeneSCHEMBL7760225DTXSID20336671VQJJJPBNIXFEFB-UHFFFAOYSA-N[1-(Allyloxy)-3-butenyl]benzene #AKOS006289346Benzene, [1-(2-propenyloxy)-3-butenyl]-DB-024601
Show more names
1-(allyloxy)-1-phenylbut-3-eneBenzene, [1-(2-propen-1-yloxy)-3-buten-1-yl]-
{1-[(Prop-2-en-1-yl)oxy]but-3-en-1-yl}benzene(1-ALLYLOXY-BUT-3-ENYL)-BENZENE, 98088-48-3, [1-(Allyloxy)-3-butenyl]benzene, AC1LBGI1, SureCN7760225, CTK5H9708, 1-prop-2-enoxybut-3-enylbenzene, AKOS006289346, AG-H-98844, Benzene, [1-(2-propenyloxy)-3-butenyl]-
Database identifiers
- CAS
98088-48-3- PubChem CID
- 535320
- DTXSID
DTXSID20336671- Nikkaji
- J820.481K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Chemistry & industry
Suppliers5 total
APAC Pharmaceutical, LLC[email protected]
AlliChem, LLC[email protected]
德拜科技有限公司00852-2521 1836
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
CHEMPACIFIC[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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