Cas no 178358-29-7 (Cyclohexane, 2-ethynyl-4-methyl-1-(1-methylethyl)-, [1S-(1alpha,2alpha,4beta)]- (9CI))
![Cyclohexane, 2-ethynyl-4-methyl-1-(1-methylethyl)-, [1S-(1alpha,2alpha,4beta)]- (9CI) structure](https://ossimg.kuujia.com/scimg/178500/178358-29-7x500.png)
178358-29-7 structure
Product Name:Cyclohexane, 2-ethynyl-4-methyl-1-(1-methylethyl)-, [1S-(1alpha,2alpha,4beta)]- (9CI)
CAS No:178358-29-7
MF:C12H20
MW:164.287203788757
CID:906626
PubChem ID:10820921
Update Time:2024-02-29
Cyclohexane, 2-ethynyl-4-methyl-1-(1-methylethyl)-, [1S-(1alpha,2alpha,4beta)]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclohexane, 2-ethynyl-4-methyl-1-(1-methylethyl)-, [1S-(1alpha,2alpha,4beta)]- (9CI)
- Cyclohexane,2-ethynyl-4-methyl-1-(1-methylethyl)-,[1S-(1alpha,2alpha,4bta)]-(9CI)
- Cyclohexane, 2-ethynyl-4-methyl-1-(1-methylethyl)-, [1S-(1alpha,2alpha,4b
- Cyclohexane, 2-ethynyl-4-methyl-1-(1-methylethyl)-, [1S-(1alpha,2alpha,4ba)]- (9CI)
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- Inchi： 1S/C12H20/c1-5-11-8-10(4)6-7-12(11)9(2)3/h1,9-12H,6-8H2,2-4H3/t10-,11-,12-/m0/s1
- InChI Key： XXWOLVVWZBJZHM-SRVKXCTJSA-N
- SMILES： [C@@H]1(C(C)C)CC[C@H](C)C[C@@H]1C#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: 1
- Complexity: 182
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 0?2
Cyclohexane, 2-ethynyl-4-methyl-1-(1-methylethyl)-, [1S-(1alpha,2alpha,4beta)]- (9CI) Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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