Cas no 807656-90-2 (3,7,11-Trimethyldodeca-2,6,11-trien-1-ol)
807656-90-2 structure
Product Name:3,7,11-Trimethyldodeca-2,6,11-trien-1-ol
CAS No:807656-90-2
MF:C15H26O
MW:222.366344928741
CID:2802870
PubChem ID:53825322
Update Time:2025-04-21
3,7,11-Trimethyldodeca-2,6,11-trien-1-ol Chemical and Physical Properties
Names and Identifiers
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- DTXSID50706949
- 807656-90-2
- 3,7,11-Trimethyldodeca-2,6,11-trien-1-ol
-
- Inchi： 1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h9,11,16H,1,5-8,10,12H2,2-4H3
- InChI Key： FYRVALWEYNLESV-UHFFFAOYSA-N
- SMILES： OCC=C(C)CCC=C(C)CCCC(=C)C
Computed Properties
- Exact Mass: 222.198365449g/mol
- Monoisotopic Mass: 222.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 259
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 5.1
- Topological Polar Surface Area: 20.2?2
3,7,11-Trimethyldodeca-2,6,11-trien-1-ol Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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