Home Other Building Blocks 2-Heptanol, 3-ethyl-2-methyl-

2-Heptanol, 3-ethyl-2-methyl-

CAS No.:
19780-59-7
Catalog Number:
AG002B26
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
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Product Description
Catalog Number:
AG002B26
Chemical Name:
2-Heptanol, 3-ethyl-2-methyl-
CAS Number:
19780-59-7
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
MDL Number:
MFCD00046575
IUPAC Name:
3-ethyl-2-methylheptan-2-ol
InChI:
InChI=1S/C10H22O/c1-5-7-8-9(6-2)10(3,4)11/h9,11H,5-8H2,1-4H3
InChI Key:
IDMQBLFACWMOGD-UHFFFAOYSA-N
SMILES:
CCCCC(C(O)(C)C)CC
Properties
Complexity:
97  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties