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141-92-4

141-92-4 | 2-Octanol, 8,8-dimethoxy-2,6-dimethyl-

CAS No: 141-92-4 Catalog No: AG001FQ4 MDL No:MFCD00021816

Product Description

Catalog Number:
AG001FQ4
Chemical Name:
2-Octanol, 8,8-dimethoxy-2,6-dimethyl-
CAS Number:
141-92-4
Molecular Formula:
C12H26O3
Molecular Weight:
218.3330
MDL Number:
MFCD00021816
IUPAC Name:
8,8-dimethoxy-2,6-dimethyloctan-2-ol
InChI:
InChI=1S/C12H26O3/c1-10(9-11(14-4)15-5)7-6-8-12(2,3)13/h10-11,13H,6-9H2,1-5H3
InChI Key:
QCJVKUULZGKQDG-UHFFFAOYSA-N
SMILES:
COC(CC(CCCC(O)(C)C)C)OC
EC Number:
205-510-9
NSC Number:
76412
FEMA Number:
2585

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.188g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.337g/mol
Monoisotopic Mass:
218.188g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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