Home Other Building Blocks 1-Pentanol, 3,3-dimethyl-

1-Pentanol, 3,3-dimethyl-

CAS No.:
19264-94-9
Catalog Number:
AG002G6L
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
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Product Description
Catalog Number:
AG002G6L
Chemical Name:
1-Pentanol, 3,3-dimethyl-
CAS Number:
19264-94-9
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
MDL Number:
MFCD02258590
IUPAC Name:
3,3-dimethylpentan-1-ol
InChI:
InChI=1S/C7H16O/c1-4-7(2,3)5-6-8/h8H,4-6H2,1-3H3
InChI Key:
IFDHMBHPLKHMOY-UHFFFAOYSA-N
SMILES:
OCCC(CC)(C)C
Properties
Complexity:
57.4  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties