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13213-31-5 | Cyclohexane, 1-(1-methoxy-1-methylethyl)-4-methyl-
CAS No: 13213-31-5 Catalog No: AG00109Y MDL No:
Product Description
Catalog Number:
AG00109Y
Chemical Name:
Cyclohexane, 1-(1-methoxy-1-methylethyl)-4-methyl-
CAS Number:
13213-31-5
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
1-(2-methoxypropan-2-yl)-4-methylcyclohexane
InChI:
InChI=1S/C11H22O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h9-10H,5-8H2,1-4H3
InChI Key:
WKXIJKLSASOAHU-UHFFFAOYSA-N
SMILES:
COC(C1CCC(CC1)C)(C)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3.3
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