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233665-90-2 | Hexane, 1-[1-(3-methylbutoxy)ethoxy]-
CAS No: 233665-90-2 Catalog No: AG002MZL MDL No:
Product Description
Catalog Number:
AG002MZL
Chemical Name:
Hexane, 1-[1-(3-methylbutoxy)ethoxy]-
CAS Number:
233665-90-2
Molecular Formula:
C13H28O2
Molecular Weight:
216.3602
IUPAC Name:
1-[1-(3-methylbutoxy)ethoxy]hexane
InChI:
InChI=1S/C13H28O2/c1-5-6-7-8-10-14-13(4)15-11-9-12(2)3/h12-13H,5-11H2,1-4H3
InChI Key:
PUXHYFFHRDAFHP-UHFFFAOYSA-N
SMILES:
CCCCCCOC(OCCC(C)C)C
FEMA Number:
4365
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.209g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.365g/mol
Monoisotopic Mass:
216.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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