Cas no 652986-75-9 (Cyclohexanone, 3-[(1S)-3-hydroxy-1-methylpropoxy]-)
652986-75-9 structure
Product Name:Cyclohexanone, 3-[(1S)-3-hydroxy-1-methylpropoxy]-
CAS No:652986-75-9
MF:C10H18O3
MW:186.248123645782
CID:401058
PubChem ID:71376219
Update Time:2025-04-19
Cyclohexanone, 3-[(1S)-3-hydroxy-1-methylpropoxy]- Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanone, 3-[(1S)-3-hydroxy-1-methylpropoxy]-
- 3-[(2S)-4-hydroxybutan-2-yl]oxycyclohexan-1-one
- 652986-75-9
- 3-{[(2S)-4-Hydroxybutan-2-yl]oxy}cyclohexan-1-one
- DTXSID90798929
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- Inchi: 1S/C10H18O3/c1-8(5-6-11)13-10-4-2-3-9(12)7-10/h8,10-11H,2-7H2,1H3/t8-,10?/m0/s1
- InChI Key: NRBYGQOJCDABEZ-PEHGTWAWSA-N
- SMILES: O([C@@H](C)CCO)C1CC(CCC1)=O
Computed Properties
- Exact Mass: 186.12564
- Monoisotopic Mass: 186.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Cyclohexanone, 3-[(1S)-3-hydroxy-1-methylpropoxy]- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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