Cas no 52061-79-7 (Hexanoyl chloride, 2,2-dibutyl-)
52061-79-7 structure
Product Name:Hexanoyl chloride, 2,2-dibutyl-
CAS No:52061-79-7
MF:C14H27ClO
MW:246.816583871841
CID:360750
PubChem ID:71365828
Update Time:2025-04-19
Hexanoyl chloride, 2,2-dibutyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoyl chloride, 2,2-dibutyl-
- 2,2-dibutylhexanoyl chloride
- 52061-79-7
- DTXSID10789213
-
- Inchi: 1S/C14H27ClO/c1-4-7-10-14(13(15)16,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
- InChI Key: RKPSPRBQDXXYPM-UHFFFAOYSA-N
- SMILES: ClC(C(CCCC)(CCCC)CCCC)=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: 10
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Hexanoyl chloride, 2,2-dibutyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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