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Home > Other Heterocycles > 853260-62-5
853260-62-5 | Bicyclo[2.2.2]octane-2,3-dimethanol, 1-methyl-4-(1-methylethyl)-
CAS No: 853260-62-5 Catalog No: AG004ULH MDL No:
Product Description
Catalog Number:
AG004ULH
Chemical Name:
Bicyclo[2.2.2]octane-2,3-dimethanol, 1-methyl-4-(1-methylethyl)-
CAS Number:
853260-62-5
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
IUPAC Name:
[3-(hydroxymethyl)-1-methyl-4-propan-2-yl-2-bicyclo[2.2.2]octanyl]methanol
InChI:
InChI=1S/C14H26O2/c1-10(2)14-6-4-13(3,5-7-14)11(8-15)12(14)9-16/h10-12,15-16H,4-9H2,1-3H3
InChI Key:
KHQWFOUFHWJQNQ-UHFFFAOYSA-N
SMILES:
OCC1C(CO)C2(C)CCC1(CC2)C(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.193g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.36g/mol
Monoisotopic Mass:
226.193g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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