Cas no 62813-77-8 (Octane, 3-ethyl-3-methoxy-)
Octane, 3-ethyl-3-methoxy- structure
Product Name:Octane, 3-ethyl-3-methoxy-
CAS No:62813-77-8
MF:C11H24O
MW:172.307663917542
CID:430571
PubChem ID:71382507
Update Time:2025-04-19
Octane, 3-ethyl-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 3-ethyl-3-methoxy-
- 3-ethyl-3-methoxyoctane
- DTXSID60804884
- 62813-77-8
-
- Inchi： 1S/C11H24O/c1-5-8-9-10-11(6-2,7-3)12-4/h5-10H2,1-4H3
- InChI Key： XPDBOEZHJQACRQ-UHFFFAOYSA-N
- SMILES： O(C)C(CC)(CC)CCCCC
Computed Properties
- Exact Mass: 172.18282
- Monoisotopic Mass: 172.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 95.2
- 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: 4.1
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Octane, 3-ethyl-3-methoxy- Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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