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141063-73-2 | Octanol, 2,4-dimethyl- (9CI)
CAS No: 141063-73-2 Catalog No: AG001FSU MDL No:
Product Description
Catalog Number:
AG001FSU
Chemical Name:
Octanol, 2,4-dimethyl- (9CI)
CAS Number:
141063-73-2
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
IUPAC Name:
2,4-dimethyloctan-1-ol
InChI:
InChI=1S/C10H22O/c1-4-5-6-9(2)7-10(3)8-11/h9-11H,4-8H2,1-3H3
InChI Key:
DGPIFVIIBUMGDJ-UHFFFAOYSA-N
SMILES:
CCCCC(CC(CO)C)C
Properties
Complexity:
80.9
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:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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