Cas no 7007-81-0 (Dodecanoic acid,3-hydroxy-3,7,11-trimethyl-)
7007-81-0 structure
Product Name:Dodecanoic acid,3-hydroxy-3,7,11-trimethyl-
CAS No:7007-81-0
MF:C15H30O3
MW:258.396905422211
CID:578976
PubChem ID:3081922
Update Time:2025-04-19
Dodecanoic acid,3-hydroxy-3,7,11-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid,3-hydroxy-3,7,11-trimethyl-
- 3-Hydroxy-3,7,11-trimethyldodecanoic acid
- TRETHOCANIC ACID
- UNII-8KVN8C4I9P
- Trethocanoic acid
- DTXSID20863977
- SCHEMBL6733719
- CHEMBL2103894
- NS00126477
- 8KVN8C4I9P
- Trethocanic acid [INN]
- 7007-81-0
- Q27270686
- Dodecanoic acid, 3-hydroxy-3,7,11-trimethyl-
-
- Inchi： 1S/C15H30O3/c1-12(2)7-5-8-13(3)9-6-10-15(4,18)11-14(16)17/h12-13,18H,5-11H2,1-4H3,(H,16,17)
- InChI Key： WUYGEUSUCRMJJG-UHFFFAOYSA-N
- SMILES： OC(C)(CC(=O)O)CCCC(C)CCCC(C)C
Computed Properties
- Exact Mass: 258.2196
- Monoisotopic Mass: 258.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 238
- 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: 4.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Dodecanoic acid,3-hydroxy-3,7,11-trimethyl- Related Literature
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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