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85136-10-3 | 5-Hepten-2-ol,3-ethenyl-3,6-dimethyl-
CAS No: 85136-10-3 Catalog No: AG004N7D MDL No:
Product Description
Catalog Number:
AG004N7D
Chemical Name:
5-Hepten-2-ol,3-ethenyl-3,6-dimethyl-
CAS Number:
85136-10-3
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
3-ethenyl-3,6-dimethylhept-5-en-2-ol
InChI:
InChI=1S/C11H20O/c1-6-11(5,10(4)12)8-7-9(2)3/h6-7,10,12H,1,8H2,2-5H3
InChI Key:
VLWIAHOZUQCLJS-UHFFFAOYSA-N
SMILES:
C=CC(C(O)C)(CC=C(C)C)C
EC Number:
285-733-6
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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