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Home > Other Heterocycles > 166389-92-0
166389-92-0 | Bicyclo[3.1.1]hept-2-ene-3-ethanol, 6,6-dimethyl-
CAS No: 166389-92-0 Catalog No: AG001WOU MDL No:
Product Description
Catalog Number:
AG001WOU
Chemical Name:
Bicyclo[3.1.1]hept-2-ene-3-ethanol, 6,6-dimethyl-
CAS Number:
166389-92-0
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol
InChI:
InChI=1S/C11H18O/c1-11(2)9-5-8(3-4-12)6-10(11)7-9/h5,9-10,12H,3-4,6-7H2,1-2H3
InChI Key:
INGORVXUMWLHFR-UHFFFAOYSA-N
SMILES:
OCCC1=CC2CC(C1)C2(C)C
Properties
Complexity:
215
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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