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87887-22-7 | 2-Pentanol, 1-[(6-ethyl-2,2-dimethylcyclohexyl)oxy]-
CAS No: 87887-22-7 Catalog No: AG004IJU MDL No:
Product Description
Catalog Number:
AG004IJU
Chemical Name:
2-Pentanol, 1-[(6-ethyl-2,2-dimethylcyclohexyl)oxy]-
CAS Number:
87887-22-7
Molecular Formula:
C15H30O2
Molecular Weight:
242.3975
IUPAC Name:
1-(6-ethyl-2,2-dimethylcyclohexyl)oxypentan-2-ol
InChI:
InChI=1S/C15H30O2/c1-5-8-13(16)11-17-14-12(6-2)9-7-10-15(14,3)4/h12-14,16H,5-11H2,1-4H3
InChI Key:
DBVPKWZRRYHMKF-UHFFFAOYSA-N
SMILES:
CCCC(COC1C(CC)CCCC1(C)C)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.225g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.403g/mol
Monoisotopic Mass:
242.225g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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