Cas no 875112-95-1 (2,7,11-Tridecatrien-4-ol, 4,8-dimethyl-)
875112-95-1 structure
Product Name:2,7,11-Tridecatrien-4-ol, 4,8-dimethyl-
CAS No:875112-95-1
MF:C15H26O
MW:222.366344928741
CID:1909876
PubChem ID:71412666
Update Time:2025-04-21
2,7,11-Tridecatrien-4-ol, 4,8-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,7,11-Tridecatrien-4-ol, 4,8-dimethyl-
- 4,8-dimethyltrideca-2,7,11-trien-4-ol
- 875112-95-1
- DTXSID30832210
-
- Inchi： 1S/C15H26O/c1-5-7-8-10-14(3)11-9-13-15(4,16)12-6-2/h5-7,11-12,16H,8-10,13H2,1-4H3
- InChI Key： VMIPPFNLEOIUPL-UHFFFAOYSA-N
- SMILES： OC(C=CC)(C)CCC=C(C)CCC=CC
Computed Properties
- Exact Mass: 222.198365449Da
- Monoisotopic Mass: 222.198365449Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 3
- XLogP3: 4.2
- Topological Polar Surface Area: 20.2?2
2,7,11-Tridecatrien-4-ol, 4,8-dimethyl- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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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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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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