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144449-62-7 | Cyclohexanol, 1,1',1''-(1,3-hexadien-5-yne-1,3,6-triyl)tris- (9CI)
CAS No: 144449-62-7 Catalog No: AG001JJS MDL No:
Product Description
Catalog Number:
AG001JJS
Chemical Name:
Cyclohexanol, 1,1',1''-(1,3-hexadien-5-yne-1,3,6-triyl)tris- (9CI)
CAS Number:
144449-62-7
Molecular Formula:
C24H36O3
Molecular Weight:
372.5408
IUPAC Name:
1-[3,6-bis(1-hydroxycyclohexyl)hexa-1,3-dien-5-ynyl]cyclohexan-1-ol
InChI:
InChI=1S/C24H36O3/c25-22(13-4-1-5-14-22)17-10-11-21(24(27)18-8-3-9-19-24)12-20-23(26)15-6-2-7-16-23/h11-12,20,25-27H,1-9,13-16,18-19H2
InChI Key:
JNHZSEJJXKPOSB-UHFFFAOYSA-N
SMILES:
OC1(CCCCC1)C=CC(=CC#CC1(O)CCCCC1)C1(O)CCCCC1
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.266g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
372.549g/mol
Monoisotopic Mass:
372.266g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.4
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