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151-19-9

151-19-9 | 3-Octanol, 3,6-dimethyl-

CAS No: 151-19-9 Catalog No: AG001MZY MDL No:

Product Description

Catalog Number:
AG001MZY
Chemical Name:
3-Octanol, 3,6-dimethyl-
CAS Number:
151-19-9
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
IUPAC Name:
3,6-dimethyloctan-3-ol
InChI:
InChI=1S/C10H22O/c1-5-9(3)7-8-10(4,11)6-2/h9,11H,5-8H2,1-4H3
InChI Key:
NPHCXUPGMINOPP-UHFFFAOYSA-N
SMILES:
CCC(CCC(CC)(O)C)C
EC Number:
205-787-6
NSC Number:
5613

Properties

Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.167g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.285g/mol
Monoisotopic Mass:
158.167g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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