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1565-76-0 | Cyclohexane, 2-methoxy-4-methyl-1-(1-methylethyl)-, (1S,2R,4R)-
CAS No: 1565-76-0 Catalog No: AG001ORY MDL No:
Product Description
Catalog Number:
AG001ORY
Chemical Name:
Cyclohexane, 2-methoxy-4-methyl-1-(1-methylethyl)-, (1S,2R,4R)-
CAS Number:
1565-76-0
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
(1S,2R,4R)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane
InChI:
InChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3/t9-,10+,11-/m1/s1
InChI Key:
JDGJLPHFRJNJMN-OUAUKWLOSA-N
SMILES:
CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
EC Number:
216-365-6
UNII:
89677W03FF
FEMA Number:
4054
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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