Home Other Building Blocks 3-methylpentane-1,3-diol

3-methylpentane-1,3-diol

CAS No.:
33879-72-0
Catalog Number:
AG01C83Z
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
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Product Description
Catalog Number:
AG01C83Z
Chemical Name:
3-methylpentane-1,3-diol
CAS Number:
33879-72-0
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD25962479
IUPAC Name:
3-methylpentane-1,3-diol
InChI:
InChI=1S/C6H14O2/c1-3-6(2,8)4-5-7/h7-8H,3-5H2,1-2H3
InChI Key:
HIYKOZFIVZIBFO-UHFFFAOYSA-N
SMILES:
OCCC(CC)(O)C
Properties
Complexity:
63.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties