Cas no 37172-89-7 (Cyclohexanol,1-ethynyl-2-(1-methylpropyl)-)
37172-89-7 structure
Product Name:Cyclohexanol,1-ethynyl-2-(1-methylpropyl)-
CAS No:37172-89-7
MF:C12H20O
MW:180.286603927612
CID:307547
PubChem ID:169864
Update Time:2025-04-19
Cyclohexanol,1-ethynyl-2-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol,1-ethynyl-2-(1-methylpropyl)-
- 2-butan-2-yl-1-ethynylcyclohexan-1-ol
- 1-Ethynyl-2-(1-methylpropyl)cyclohexan-1-ol
- 2-(butan-2-yl)-1-ethynylcyclohexanol
- 2-sec-Butyl-1-ethynylcyclohexanol
- DTXSID50885667
- Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-
- 37172-89-7
- EINECS 253-382-8
- NS00057369
-
- Inchi： 1S/C12H20O/c1-4-10(3)11-8-6-7-9-12(11,13)5-2/h2,10-11,13H,4,6-9H2,1,3H3
- InChI Key： NETONJQRBNZZHO-UHFFFAOYSA-N
- SMILES： OC1(C#C)CCCCC1C(C)CC
Computed Properties
- Exact Mass: 180.1515
- Monoisotopic Mass: 180.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Cyclohexanol,1-ethynyl-2-(1-methylpropyl)- Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
37172-89-7 (Cyclohexanol,1-ethynyl-2-(1-methylpropyl)-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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