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87887-24-9 | 2-Pentanol, 1-[(2,6-dimethylcyclohexyl)oxy]-
CAS No: 87887-24-9 Catalog No: AG004IJT MDL No:
Product Description
Catalog Number:
AG004IJT
Chemical Name:
2-Pentanol, 1-[(2,6-dimethylcyclohexyl)oxy]-
CAS Number:
87887-24-9
Molecular Formula:
C13H26O2
Molecular Weight:
214.3443
IUPAC Name:
1-(2,6-dimethylcyclohexyl)oxypentan-2-ol
InChI:
InChI=1S/C13H26O2/c1-4-6-12(14)9-15-13-10(2)7-5-8-11(13)3/h10-14H,4-9H2,1-3H3
InChI Key:
GNMYYZCWLIIAAM-UHFFFAOYSA-N
SMILES:
CCCC(COC1C(C)CCCC1C)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.193g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.349g/mol
Monoisotopic Mass:
214.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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