Cas no 112321-33-2 (Cyclohexanecarbonylchloride, 2-methyl-5-(1-methylethyl)-, [1R-(1a,2b,5a)]- (9CI))
![Cyclohexanecarbonylchloride, 2-methyl-5-(1-methylethyl)-, [1R-(1a,2b,5a)]- (9CI) structure](https://ossimg.kuujia.com/scimg/112500/112321-33-2x500.png)
112321-33-2 structure
Product Name:Cyclohexanecarbonylchloride, 2-methyl-5-(1-methylethyl)-, [1R-(1a,2b,5a)]- (9CI)
CAS No:112321-33-2
MF:C11H19ClO
MW:202.720962762833
CID:129611
PubChem ID:45081831
Update Time:2025-04-19
Cyclohexanecarbonylchloride, 2-methyl-5-(1-methylethyl)-, [1R-(1a,2b,5a)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarbonylchloride, 2-methyl-5-(1-methylethyl)-, [1R-(1a,2b,5a)]- (9CI)
- (1R,2R,5R)-2-methyl-5-propan-2-ylcyclohexane-1-carbonyl chloride
- Cyclohexanecarbonyl chloride, 2-methyl-5-(1-methylethyl)-, [1R-(1alpha,2beta,5alpha)]- (9CI)
- 112321-33-2
- DTXSID60664889
- (1R,2R,5R)-2-Methyl-5-(propan-2-yl)cyclohexane-1-carbonyl chloride
-
- Inchi： 1S/C11H19ClO/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h7-10H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
- InChI Key： LUUNAAZMDHHAAH-OPRDCNLKSA-N
- SMILES： ClC([C@@H]1C[C@H](C(C)C)CC[C@H]1C)=O
Computed Properties
- Exact Mass: 202.11257
- Monoisotopic Mass: 202.1124429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 189
- 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: 4.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclohexanecarbonylchloride, 2-methyl-5-(1-methylethyl)-, [1R-(1a,2b,5a)]- (9CI) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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