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16464-42-9 | Cyclohexanol, 1-[3-[2-(diisopropylamino)ethoxy]-1-propynyl]- (8CI)
CAS No: 16464-42-9 Catalog No: AG001UZU MDL No:
Product Description
Catalog Number:
AG001UZU
Chemical Name:
Cyclohexanol, 1-[3-[2-(diisopropylamino)ethoxy]-1-propynyl]- (8CI)
CAS Number:
16464-42-9
Molecular Formula:
C17H31NO2
Molecular Weight:
281.4335
IUPAC Name:
3-[2-[di(propan-2-yl)amino]ethoxy]-1-prop-1-ynylcyclohexan-1-ol
InChI:
InChI=1S/C17H31NO2/c1-6-9-17(19)10-7-8-16(13-17)20-12-11-18(14(2)3)15(4)5/h14-16,19H,7-8,10-13H2,1-5H3
InChI Key:
RACBOBKMDDZSAZ-UHFFFAOYSA-N
SMILES:
CC(N(C(C)C)CCOCC#CC1(O)CCCCC1)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.235g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.44g/mol
Monoisotopic Mass:
281.235g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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