4-[(3-Methylbut-2-en-1-yl)oxy]benzaldehyde
PubChem CID: 10921323
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| Compound Synonyms | 28090-12-2, 4-((3-Methylbut-2-en-1-yl)oxy)benzaldehyde, 4'-(3-Methyl-2-butyenyloxy)benzaldehyde, 4-(3-methylbut-2-enoxy)benzaldehyde, 4-(3-Methyl-2-butenyloxy)benzaldehyde, 4-(3-Methylbut-2-enyloxy)benzaldehyde, 4-prenyloxybenzaldehyde, Benzaldehyde, 4-[(3-methyl-2-butenyl)oxy]-, P-Isopentenyloxybenzaldehyde, 4-[(3-methylbut-2-en-1-yl)oxy]benzaldehyde, DTXSID20448389, 4-Prenyloxybenzaldehyde, 4-[(3-Methyl-2-butenyl)oxy]benzaldehyde, 4-[(3-Methyl-2-buten-1-yl)oxy]benzaldehyde, MFCD06797957, CHEMBL2022665, SCHEMBL10269260, DTXCID10399210, ZCAMZJYDORGUOV-UHFFFAOYSA-N, BCP28670, 4-(3-Methyl-2-butenyloxy)benzadehyde, AKOS000182460, AC-8372, AS-76548, 4\'-(3-Methyl-2-butyenyloxy)benzaldehyde, CS-0155163, D95087 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q96RI1 |
| Iupac Name | 4-(3-methylbut-2-enoxy)benzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C12H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCAMZJYDORGUOV-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.346 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.036 |
| Compound Name | 4-[(3-Methylbut-2-en-1-yl)oxy]benzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 190.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8681432571428567 |
| Inchi | InChI=1S/C12H14O2/c1-10(2)7-8-14-12-5-3-11(9-13)4-6-12/h3-7,9H,8H2,1-2H3 |
| Smiles | CC(=CCOC1=CC=C(C=C1)C=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Anisata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all