Cas no 62101-36-4 (Heptanoyl chloride, 2,4,6-trimethyl-2-(2-methylpropyl)-)
62101-36-4 structure
Product Name:Heptanoyl chloride, 2,4,6-trimethyl-2-(2-methylpropyl)-
CAS No:62101-36-4
MF:C14H27ClO
MW:246.816583871841
CID:458040
PubChem ID:22162406
Update Time:2025-04-19
Heptanoyl chloride, 2,4,6-trimethyl-2-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Heptanoyl chloride, 2,4,6-trimethyl-2-(2-methylpropyl)-
- 2,4,6-trimethyl-2-(2-methylpropyl)heptanoyl chloride
- 62101-36-4
- DTXSID20623058
- SCHEMBL10414346
-
- Inchi： 1S/C14H27ClO/c1-10(2)7-12(5)9-14(6,13(15)16)8-11(3)4/h10-12H,7-9H2,1-6H3
- InChI Key： CNJNYXLUCFDHJB-UHFFFAOYSA-N
- SMILES： ClC(C(C)(CC(C)C)CC(C)CC(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 : 2
- 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, 2,4,6-trimethyl-2-(2-methylpropyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
62101-36-4 (Heptanoyl chloride, 2,4,6-trimethyl-2-(2-methylpropyl)-) Related Products
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