4,4,5,5-tetramethyl-2-[(E)-oct-1-enyl]-1,3,2-dioxaborolane

Formula:C14H27O2B Mutagenic:none Tumorigenic:none Reproductive Effective:none 4,4,5,5-tetramethyl-2-[(E)-oct-1-enyl]-1,3,2-dioxaborolane is a drug-like molecule.

MolName	4,4,5,5-tetramethyl-2-[(E)-oct-1-enyl]-1,3,2-dioxaborolane
MolecularFormula	C14H27O2B
Smiles	CCCCCC/C=C/B1OC(C)(C)C(C)(C)O1
InChI	InChI=1S/C14H27BO2/c1-6-7-8-9-10-11-12-15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3
InChIK	KQTOSGTXAFJZSJ-UHFFFAOYSA-N
TotalMolweight	238.177
Molweight	238.177
MonoisotopicMass	238.21041
CLogP	3.7917
CLogS	-2.009
H Acceptors	2
TotalSurfaceArea	212.02
Relative PSA	0.094331
PolarSurfaceArea	18.46
Druglikeness	-37.07
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	unwanted atom
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	3
Electronegative Atoms	2
Rotatable Bond	6
Rings Closures	1
Small Rings	1
Sp3Atoms	14
Symmetricatoms	5
StereoCon

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