1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1S,3aS,7aS)-octahydro-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)-


Chemical Name: 1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1S,3aS,7aS)-octahydro-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)-
CAS Number: 103909-75-7
Product Number: AG00857B(AGN-PC-0OSOGZ)
Synonyms:
MDL No: MFCD00871502
Molecular Formula: C21H31O2
Molecular Weight: 315.4696

Identification/Properties


Computed Properties
Molecular Weight:
418.618g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
418.308g/mol
Monoisotopic Mass:
418.308g/mol
Topological Polar Surface Area:
69.9A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
691
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H361
Precautionary Statements:
P281-P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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