4,4,5,5-tetramethyl-2-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-1-en-2-yl]-1,3,2-dioxaborolane

Formula:C19H36O4B2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4,4,5,5-tetramethyl-2-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-1-en-2-yl]-1,3,2-dioxaborolane is a drug-like molecule.

MolName4,4,5,5-tetramethyl-2-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-1-en-2-yl]-1,3,2-dioxaborolane
MolecularFormulaC19H36O4B2
SmilesCCCCC/C(/B1OC(C)(C)C(C)(C)O1)=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H36B2O4/c1-10-11-12-13-15(21-24-18(6,7)19(8,9)25-21)14-20-22-16(2,3)17(4,5)23-20/h14H,10-13H2,1-9H3
InChIKKBMWLQPDFRGVTD-UHFFFAOYSA-N
TotalMolweight350.113
Molweight350.113
MonoisotopicMass350.27997
CLogP3.7118
CLogS-1.329
H Acceptors4
TotalSurfaceArea287.43
Relative PSA0.13916
PolarSurfaceArea36.92
Druglikeness-30.733
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionsunwanted atom
Shape Index0.44
Fragments1
Non HAtoms25
NonCHAtoms6
Electronegative Atoms4
Rotatable Bond6
Rings Closures2
Small Rings2
Sp3Atoms21
Symmetricatoms10
StereoCon

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