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10100-95-5 | Pentane, 1-(1,1-dimethylethoxy)-
CAS No: 10100-95-5 Catalog No: AG0003HC MDL No:
Product Description
Catalog Number:
AG0003HC
Chemical Name:
Pentane, 1-(1,1-dimethylethoxy)-
CAS Number:
10100-95-5
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
IUPAC Name:
1-[(2-methylpropan-2-yl)oxy]pentane
InChI:
InChI=1S/C9H20O/c1-5-6-7-8-10-9(2,3)4/h5-8H2,1-4H3
InChI Key:
BWRSHLROMAZEBM-UHFFFAOYSA-N
SMILES:
CCCCCOC(C)(C)C
Properties
Complexity:
71.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.151g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.258g/mol
Monoisotopic Mass:
144.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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