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141797-43-5 | Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butyn-1-yl)-
CAS No: 141797-43-5 Catalog No: AG001H7D MDL No:
Product Description
Catalog Number:
AG001H7D
Chemical Name:
Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butyn-1-yl)-
CAS Number:
141797-43-5
Molecular Formula:
C17H30O2
Molecular Weight:
266.4189
IUPAC Name:
1-(3-hydroxy-3-methylbut-1-ynyl)cyclododecan-1-ol
InChI:
InChI=1S/C17H30O2/c1-16(2,18)14-15-17(19)12-10-8-6-4-3-5-7-9-11-13-17/h18-19H,3-13H2,1-2H3
InChI Key:
NYBRBVNFZJFIDN-UHFFFAOYSA-N
SMILES:
OC1(CCCCCCCCCCC1)C#CC(O)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.225g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.425g/mol
Monoisotopic Mass:
266.225g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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