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116206-62-3 | 4,8-Tetradecadiene, 1,1-dimethoxy-4,8-dimethyl-, (Z,Z)- (9CI)
CAS No: 116206-62-3 Catalog No: AG000BXF MDL No:
Product Description
Catalog Number:
AG000BXF
Chemical Name:
4,8-Tetradecadiene, 1,1-dimethoxy-4,8-dimethyl-, (Z,Z)- (9CI)
CAS Number:
116206-62-3
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
1,1-dimethoxy-4,8-dimethyltetradeca-4,8-diene
InChI:
InChI=1S/C18H34O2/c1-6-7-8-9-11-16(2)12-10-13-17(3)14-15-18(19-4)20-5/h11,13,18H,6-10,12,14-15H2,1-5H3
InChI Key:
FLWHENGTGCDTJR-UHFFFAOYSA-N
SMILES:
CCCCC/C=C(\CC/C=C(\CCC(OC)OC)/C)/C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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