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Home Other Building Blocks 3-Heptanol, 4-methyl-

3-Heptanol, 4-methyl-

CAS No.:
14979-39-6
Catalog Number:
AG001M0R
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
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Product Description
Catalog Number:
AG001M0R
Chemical Name:
3-Heptanol, 4-methyl-
CAS Number:
14979-39-6
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
MDL Number:
MFCD00004568
IUPAC Name:
4-methylheptan-3-ol
InChI:
InChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3
InChI Key:
BKQICAFAUMRYLZ-UHFFFAOYSA-N
SMILES:
CCCC(C(CC)O)C
EC Number:
239-058-9
UNII:
L4RU749510
NSC Number:
93808
Properties
Complexity:
61.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Antimicrobial activities of components of the glandular secretions of leaf cutting ants of the genus Atta. Antonie van Leeuwenhoek 20090501
Synthesis and biological activity of the four stereoisomers of 4-methyl-3-heptanol: main component of the aggregation pheromone of Scolytus amygdali. Journal of chemical ecology 20040301
Properties