Cas no 18304-14-8 (1,3,5-Heptatriene, 6-methyl-, (3E)-)
18304-14-8 structure
Product Name:1,3,5-Heptatriene, 6-methyl-, (3E)-
CAS No:18304-14-8
MF:C8H12
MW:108.180882453918
CID:1381727
PubChem ID:5462931
Update Time:2025-04-20
1,3,5-Heptatriene, 6-methyl-, (3E)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Heptatriene, 6-methyl-, (3E)-
- (E)-6-methyl-1,3,5-heptatriene
- 1,3,5-Heptatriene, 6,6-dimethyl-, (E,E)-
- 1,3,5-Heptatriene, 6,6-dimethyl-, (E)-
- 18304-14-8
- DTXSID801305110
- (3E)-6-Methyl-1,3,5-heptatriene
- 16895-46-8
-
- Inchi: 1S/C8H12/c1-4-5-6-7-8(2)3/h4-7H,1H2,2-3H3/b6-5+
- InChI Key: ACENFYRHGWWZOA-AATRIKPKSA-N
- SMILES: C(=C/C=C/C=C)(/C)\C
Computed Properties
- Exact Mass: 108.093900383g/mol
- Monoisotopic Mass: 108.093900383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 0?2
1,3,5-Heptatriene, 6-methyl-, (3E)- Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
18304-14-8 (1,3,5-Heptatriene, 6-methyl-, (3E)-) Related Products
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