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119072-02-5 | 3,6,9-Undecatrien-1-ol, 11-[(tetrahydro-2H-pyran-2-yl)oxy]-, (Z,Z,Z)- (9CI)
CAS No: 119072-02-5 Catalog No: AG000P5K MDL No:
Product Description
Catalog Number:
AG000P5K
Chemical Name:
3,6,9-Undecatrien-1-ol, 11-[(tetrahydro-2H-pyran-2-yl)oxy]-, (Z,Z,Z)- (9CI)
CAS Number:
119072-02-5
Molecular Formula:
C16H26O3
Molecular Weight:
266.3758
IUPAC Name:
11-(oxan-2-yloxy)undeca-3,6,9-trien-1-ol
InChI:
InChI=1S/C16H26O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h1,3-4,6-7,10,16-17H,2,5,8-9,11-15H2
InChI Key:
UPMTWEORYYXVHG-UHFFFAOYSA-N
SMILES:
OCC/C=C\C/C=C\C/C=C\COC1CCCCO1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.188g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.381g/mol
Monoisotopic Mass:
266.188g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
2.9
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