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158721-91-6 | Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butyn-1-yl]-
CAS No: 158721-91-6 Catalog No: AG001QT3 MDL No:
Product Description
Catalog Number:
AG001QT3
Chemical Name:
Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butyn-1-yl]-
CAS Number:
158721-91-6
Molecular Formula:
C15H26O3
Molecular Weight:
254.3651
IUPAC Name:
1-(3-tert-butylperoxy-3-methylbut-1-ynyl)cyclohexan-1-ol
InChI:
InChI=1S/C15H26O3/c1-13(2,3)17-18-14(4,5)11-12-15(16)9-7-6-8-10-15/h16H,6-10H2,1-5H3
InChI Key:
KZUDCCMVSPPPHP-UHFFFAOYSA-N
SMILES:
CC(C#CC1(O)CCCCC1)(OOC(C)(C)C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.188g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.37g/mol
Monoisotopic Mass:
254.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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