1-[(E)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexan-1-ol

Formula:C20H36O5B2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexan-1-ol is a drug-like molecule.

MolName	1-[(E)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexan-1-ol
MolecularFormula	C20H36O5B2
Smiles	CC1(C)OB(/C=C(\B2OC(C)(C)C(C)(C)O2)/C2(CCCCC2)O)OC1(C)C
InChI	InChI=1S/C20H36B2O5/c1-16(2)17(3,4)25-21(24-16)14-15(20(23)12-10-9-11-13-20)22-26-18(5,6)19(7,8)27-22/h14,23H,9-13H2,1-8H3
InChIK	AEMMRANIQHBQBW-UHFFFAOYSA-N
TotalMolweight	378.123
Molweight	378.123
MonoisotopicMass	378.274885
CLogP	2.4149
CLogS	-1.125
H Acceptors	5
H Donors	1
TotalSurfaceArea	292.19
Relative PSA	0.18173
PolarSurfaceArea	57.15
Druglikeness	-23.519
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	unwanted atom
Shape Index	0.37037
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Sp3Atoms	23
Symmetricatoms	12
StereoCon

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1 - 1-[(E)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexan-1-ol | 2 - 1-[(E)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexan-1-ol

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