Cas no 62673-00-1 (Cyclohexanone, 4-methoxy-2-methyl-, trans-)
62673-00-1 structure
Product Name:Cyclohexanone, 4-methoxy-2-methyl-, trans-
CAS No:62673-00-1
MF:C8H14O2
MW:142.195562839508
CID:435837
PubChem ID:71383967
Update Time:2025-04-19
Cyclohexanone, 4-methoxy-2-methyl-, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 4-methoxy-2-methyl-, trans-
- (2S,4R)-4-methoxy-2-methylcyclohexan-1-one
- 62673-00-1
- DTXSID50806251
-
- Inchi： 1S/C8H14O2/c1-6-5-7(10-2)3-4-8(6)9/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
- InChI Key： YLAFKZMRJBPOKZ-NKWVEPMBSA-N
- SMILES： O(C)[C@@H]1CCC([C@@H](C)C1)=O
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 131
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Cyclohexanone, 4-methoxy-2-methyl-, trans- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
62673-00-1 (Cyclohexanone, 4-methoxy-2-methyl-, trans-) Related Products
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