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85324-14-7 | 5-Octen-4-ol, 8-[(tetrahydro-2H-pyran-2-yl)oxy]-, (Z)-
CAS No: 85324-14-7 Catalog No: AG004LLL MDL No:
Product Description
Catalog Number:
AG004LLL
Chemical Name:
5-Octen-4-ol, 8-[(tetrahydro-2H-pyran-2-yl)oxy]-, (Z)-
CAS Number:
85324-14-7
Molecular Formula:
C13H24O3
Molecular Weight:
228.3279
IUPAC Name:
8-(oxan-2-yloxy)oct-5-en-4-ol
InChI:
InChI=1S/C13H24O3/c1-2-7-12(14)8-3-5-10-15-13-9-4-6-11-16-13/h3,8,12-14H,2,4-7,9-11H2,1H3
InChI Key:
KBXAXWNAKRQVTO-UHFFFAOYSA-N
SMILES:
CCCC(/C=C\CCOC1CCCCO1)O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.332g/mol
Monoisotopic Mass:
228.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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