Cas no 72409-06-4 (Pentane,2,2-dimethoxy-3-methyl-)
72409-06-4 structure
Product Name:Pentane,2,2-dimethoxy-3-methyl-
CAS No:72409-06-4
MF:C8H18O2
MW:146.227323055267
CID:569231
PubChem ID:144548
Update Time:2025-04-19
Pentane,2,2-dimethoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentane,2,2-dimethoxy-3-methyl-
- 2,2-dimethoxy-3-methylpentane
- 2,2-dimethoxy-3-methyl-pentane
- 72409-06-4
- 3-Methyl-2-pentanone dimethylacetal
- DTXSID60993202
-
- Inchi： 1S/C8H18O2/c1-6-7(2)8(3,9-4)10-5/h7H,6H2,1-5H3
- InChI Key： UJUJHPUWUAKXEJ-UHFFFAOYSA-N
- SMILES： O(C)C(C)(C(C)CC)OC
Computed Properties
- Exact Mass: 146.13074
- Monoisotopic Mass: 146.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 87.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- Density: 0.841
- Boiling Point: 132.9°C at 760 mmHg
- Flash Point: 14.7°C
- Refractive Index: 1.404
- PSA: 18.46
Pentane,2,2-dimethoxy-3-methyl- Related Literature
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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