Home Other Building Blocks 2-Hexanol, 3-methyl-

2-Hexanol, 3-methyl-

CAS No.:
2313-65-7
Catalog Number:
AG002MA6
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
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Product Description
Catalog Number:
AG002MA6
Chemical Name:
2-Hexanol, 3-methyl-
CAS Number:
2313-65-7
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
MDL Number:
MFCD00021889
IUPAC Name:
3-methylhexan-2-ol
InChI:
InChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3
InChI Key:
IRLSKJITMWPWNY-UHFFFAOYSA-N
SMILES:
CCCC(C(O)C)C
EC Number:
219-009-8
NSC Number:
93810
Properties
Complexity:
52.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.12g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
116.204g/mol
Monoisotopic Mass:
116.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties