Cas no 130065-94-0 (Cyclohexaneacetic acid,1-carboxy-4,4-dipropyl-)
130065-94-0 structure
Product Name:Cyclohexaneacetic acid,1-carboxy-4,4-dipropyl-
CAS No:130065-94-0
MF:C15H26O4
MW:270.364545345306
CID:102791
PubChem ID:15634100
Update Time:2025-04-18
Cyclohexaneacetic acid,1-carboxy-4,4-dipropyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneacetic acid,1-carboxy-4,4-dipropyl-
- 1-(carboxymethyl)-4,4-dipropylcyclohexane-1-carboxylic acid
- 1-CARBOXYMETHYL-4,4-DIPROPYL-CYCLOHEXANECARBOXYLIC ACID
- 4,4-dipropyl-1-carboxycyclohexane-1-acetic acid
- Cyclohexaneacetic acid,1-carboxy-4,4-dipropyl
- 130065-94-0
- DTXSID00576058
-
- Inchi： 1S/C15H26O4/c1-3-5-14(6-4-2)7-9-15(10-8-14,13(18)19)11-12(16)17/h3-11H2,1-2H3,(H,16,17)(H,18,19)
- InChI Key： RFTOLBKVUBYHIF-UHFFFAOYSA-N
- SMILES： OC(C1(CC(=O)O)CCC(CCC)(CCC)CC1)=O
Computed Properties
- Exact Mass: 270.18300
- Monoisotopic Mass: 270.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 319
- 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: 4
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.60000
- LogP: 3.69270
Cyclohexaneacetic acid,1-carboxy-4,4-dipropyl- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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
130065-94-0 (Cyclohexaneacetic acid,1-carboxy-4,4-dipropyl-) Related Products
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- 99-66-1(Valproic acid)
- 1076-97-7(1,4-Cyclohexanedicarboxylic Acid)
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