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124345-19-3 | Heptane, 4-[bis(1-methylethoxy)methyl]-
CAS No: 124345-19-3 Catalog No: AG000LWO MDL No:
Product Description
Catalog Number:
AG000LWO
Chemical Name:
Heptane, 4-[bis(1-methylethoxy)methyl]-
CAS Number:
124345-19-3
Molecular Formula:
C14H30O2
Molecular Weight:
230.3868
IUPAC Name:
4-[di(propan-2-yloxy)methyl]heptane
InChI:
InChI=1S/C14H30O2/c1-7-9-13(10-8-2)14(15-11(3)4)16-12(5)6/h11-14H,7-10H2,1-6H3
InChI Key:
JCNGRKBVAFNNHL-UHFFFAOYSA-N
SMILES:
CCCC(C(OC(C)C)OC(C)C)CCC
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.225g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.392g/mol
Monoisotopic Mass:
230.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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