Cas no 4117-13-9 ((4Z)-4-Dodecen-1-yne)
(4Z)-4-Dodecen-1-yne structure
Product Name:(4Z)-4-Dodecen-1-yne
CAS No:4117-13-9
MF:C12H20
MW:164.287203788757
CID:6642630
PubChem ID:71623086
Update Time:2024-01-29
(4Z)-4-Dodecen-1-yne Chemical and Physical Properties
Names and Identifiers
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- 4117-13-9
- DTXSID201315163
- (4Z)-4-Dodecen-1-yne
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- Inchi： 1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h1,7,9H,4-6,8,10-12H2,2H3/b9-7-
- InChI Key： YPCTUTUTEWHKIA-CLFYSBASSA-N
- SMILES： C(CCC)CCC/C=C\CC#C
Computed Properties
- Exact Mass: 164.156500638g/mol
- Monoisotopic Mass: 164.156500638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 145
- 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: 5
- Topological Polar Surface Area: 0?2
(4Z)-4-Dodecen-1-yne Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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