Cas no 84682-18-8 (p-(Isopentyl)benzaldehyde)
p-(Isopentyl)benzaldehyde structure
Product Name:p-(Isopentyl)benzaldehyde
CAS No:84682-18-8
MF:C12H16O
MW:176.254843711853
CID:725911
PubChem ID:3020040
Update Time:2024-03-01
p-(Isopentyl)benzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,4-(3-methylbutyl)-
- 4-(3-methylbutyl)benzaldehyde
- p-(isopentyl)benzaldehyde
- p-(Isopentyl)benzaldehyde
-
- Inchi： 1S/C12H16O/c1-10(2)3-4-11-5-7-12(9-13)8-6-11/h5-10H,3-4H2,1-2H3
- InChI Key： HWVKHXKLEJRRJU-UHFFFAOYSA-N
- SMILES： O=CC1C=CC(=CC=1)CCC(C)C
Computed Properties
- Exact Mass: 176.120115130g/mol
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 3.5
p-(Isopentyl)benzaldehyde Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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