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88691-62-7 | 2,6,8-Decatrien-5-ol, 5-methyl-
CAS No: 88691-62-7 Catalog No: AG0047PK MDL No:
Product Description
Catalog Number:
AG0047PK
Chemical Name:
2,6,8-Decatrien-5-ol, 5-methyl-
CAS Number:
88691-62-7
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
5-methyldeca-2,6,8-trien-5-ol
InChI:
InChI=1S/C11H18O/c1-4-6-8-10-11(3,12)9-7-5-2/h4-8,10,12H,9H2,1-3H3
InChI Key:
XURXJNUKKIVZBS-UHFFFAOYSA-N
SMILES:
CC=CC=CC(CC=CC)(O)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
2.6
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