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88524-72-5 | 2,6-Octadien-1-ol, 7-(diethoxymethyl)-8,8-diethoxy-3-methyl-, (E)-
CAS No: 88524-72-5 Catalog No: AG0048FL MDL No:
Product Description
Catalog Number:
AG0048FL
Chemical Name:
2,6-Octadien-1-ol, 7-(diethoxymethyl)-8,8-diethoxy-3-methyl-, (E)-
CAS Number:
88524-72-5
Molecular Formula:
C18H34O5
Molecular Weight:
330.4596
IUPAC Name:
7-(diethoxymethyl)-8,8-diethoxy-3-methylocta-2,6-dien-1-ol
InChI:
InChI=1S/C18H34O5/c1-6-20-17(21-7-2)16(18(22-8-3)23-9-4)12-10-11-15(5)13-14-19/h12-13,17-19H,6-11,14H2,1-5H3
InChI Key:
YQTCIPJQXQFQDF-UHFFFAOYSA-N
SMILES:
CCOC(C(=CCC/C(=C/CO)/C)C(OCC)OCC)OCC
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.241g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.465g/mol
Monoisotopic Mass:
330.241g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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