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10143-60-9 | Heptane, 3,3'-[oxybis(methylene)]bis-
CAS No: 10143-60-9 Catalog No: AG0004HQ MDL No:MFCD00059427
Product Description
Catalog Number:
AG0004HQ
Chemical Name:
Heptane, 3,3'-[oxybis(methylene)]bis-
CAS Number:
10143-60-9
Molecular Formula:
C16H34O
Molecular Weight:
242.4406
MDL Number:
MFCD00059427
IUPAC Name:
3-(2-ethylhexoxymethyl)heptane
InChI:
InChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChI Key:
YHCCCMIWRBJYHG-UHFFFAOYSA-N
SMILES:
CCCCC(COCC(CCCC)CC)CC
EC Number:
233-412-6
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.261g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.447g/mol
Monoisotopic Mass:
242.261g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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