Cas no 62101-35-3 (Heptanoyl chloride, 2,2-diethyl-4,6,6-trimethyl-)
62101-35-3 structure
Product Name:Heptanoyl chloride, 2,2-diethyl-4,6,6-trimethyl-
CAS No:62101-35-3
MF:C14H27ClO
MW:246.816583871841
CID:458041
PubChem ID:71389962
Update Time:2025-04-19
Heptanoyl chloride, 2,2-diethyl-4,6,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptanoyl chloride, 2,2-diethyl-4,6,6-trimethyl-
- 2,2-diethyl-4,6,6-trimethylheptanoyl chloride
- DTXSID90811905
- 62101-35-3
-
- Inchi： 1S/C14H27ClO/c1-7-14(8-2,12(15)16)10-11(3)9-13(4,5)6/h11H,7-10H2,1-6H3
- InChI Key： XVOZDMCZWIXQLO-UHFFFAOYSA-N
- SMILES： ClC(C(CC)(CC)CC(C)CC(C)(C)C)=O
Computed Properties
- Exact Mass: 246.17521
- Monoisotopic Mass: 246.1750432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 223
- 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: 5.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Heptanoyl chloride, 2,2-diethyl-4,6,6-trimethyl- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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