Cas no 3304-28-7 (4-Hexenal, 5-methyl-2-(1-methylethylidene)-)
3304-28-7 structure
Product Name:4-Hexenal, 5-methyl-2-(1-methylethylidene)-
CAS No:3304-28-7
MF:C10H16O
MW:152.233443260193
CID:1455053
PubChem ID:534886
Update Time:2025-04-20
4-Hexenal, 5-methyl-2-(1-methylethylidene)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Hexenal, 5-methyl-2-(1-methylethylidene)-
- 2-isopropylidene-5-methyl-hex-4-enal
- 20053-27-4
- SCHEMBL16669157
- InChI=1/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5,7H,6H2,1-4H
- 2-Isopropylidene-5-methylhex-4-enal
- 5-Methyl-2-(1-methylethylidene)-4-hexenal #
- LXFYJMYFNQCYJD-UHFFFAOYSA-N
- DTXSID80954658
- 2-isopropyliden-5-methyl-4-hexenal
- 5-Methyl-2-(1-methylethylidene)-4-hexenal
- 3304-28-7
- 5-METHYL-2-(PROPAN-2-YLIDENE)HEX-4-ENAL
-
- Inchi: 1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5,7H,6H2,1-4H3
- InChI Key: LXFYJMYFNQCYJD-UHFFFAOYSA-N
- SMILES: O=C/C(=C(\C)/C)/C/C=C(\C)/C
Computed Properties
- Exact Mass: 152.12018
- Monoisotopic Mass: 152.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 189
- 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
- XLogP3: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
4-Hexenal, 5-methyl-2-(1-methylethylidene)- Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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