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Home > Other Heterocycles > 922713-07-3
922713-07-3 | Bicyclo[3.1.1]heptan-2-ol, 3-(diethoxymethyl)-6,6-dimethyl-, (1R,5R)-
CAS No: 922713-07-3 Catalog No: AG006DI3 MDL No:
Product Description
Catalog Number:
AG006DI3
Chemical Name:
Bicyclo[3.1.1]heptan-2-ol, 3-(diethoxymethyl)-6,6-dimethyl-, (1R,5R)-
CAS Number:
922713-07-3
Molecular Formula:
C14H26O3
Molecular Weight:
242.3544
IUPAC Name:
(1R,5R)-3-(diethoxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
InChI:
InChI=1S/C14H26O3/c1-5-16-13(17-6-2)10-7-9-8-11(12(10)15)14(9,3)4/h9-13,15H,5-8H2,1-4H3/t9-,10?,11-,12?/m0/s1
InChI Key:
JEVIOCHXDBNVNI-VOBJUBJWSA-N
SMILES:
CCOC(C1C[C@H]2C[C@@H](C1O)C2(C)C)OCC
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
242.188g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.359g/mol
Monoisotopic Mass:
242.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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