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Home > Other Heterocycles > 67217-83-8
67217-83-8 | (2S,6R,7S,8S)-7-[(Z)-but-1-en-3-ynyl]-2-prop-2-enyl-1-azaspiro[5.5]undecan-8-ol
CAS No: 67217-83-8 Catalog No: AG005Q3W MDL No:
Product Description
Catalog Number:
AG005Q3W
Chemical Name:
(2S,6R,7S,8S)-7-[(Z)-but-1-en-3-ynyl]-2-prop-2-enyl-1-azaspiro[5.5]undecan-8-ol
CAS Number:
67217-83-8
Molecular Formula:
C17H25NO
Molecular Weight:
259.3865
IUPAC Name:
(2S,6R,10S,11S)-11-but-1-en-3-ynyl-2-prop-2-enyl-1-azaspiro[5.5]undecan-10-ol
InChI:
InChI=1S/C17H25NO/c1-3-5-10-15-16(19)11-7-13-17(15)12-6-9-14(18-17)8-4-2/h1,4-5,10,14-16,18-19H,2,6-9,11-13H2/t14-,15-,16+,17-/m1/s1
InChI Key:
RPRLIRMTHXJFIO-WCXIOVBPSA-N
SMILES:
C#C/C=C\[C@@H]1[C@@H](O)CCC[C@@]21CCC[C@H](N2)CC=C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
259.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.393g/mol
Monoisotopic Mass:
259.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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