dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane

C22H35BO2Si — CID 134904089

IUPACdimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1CCCC([Si](C)(C)c2ccccc2)C1
InChIInChI=1S/C22H35BO2Si/c1-17(23-24-21(2,3)22(4,5)25-23)18-12-11-15-20(16-18)26(6,7)19-13-9-8-10-14-19/h8-10,13-14,18,20H,1,11-12,15-16H2,2-7H3
InChIKeyGEXADZNGBTZTSQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP5.35
Rot. Bonds4

About dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane

dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane (PubChem CID 134904089) has the molecular formula C22H35BO2Si and a molecular weight of 370.42 g/mol. Its IUPAC name is dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane
PubChem CID134904089
Molecular FormulaC22H35BO2Si
Molecular Weight370.42 g/mol
Exact Mass370.25
IUPAC Namedimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1CCCC([Si](C)(C)c2ccccc2)C1
InChIInChI=1S/C22H35BO2Si/c1-17(23-24-21(2,3)22(4,5)25-23)18-12-11-15-20(16-18)26(6,7)19-13-9-8-10-14-19/h8-10,13-14,18,20H,1,11-12,15-16H2,2-7H3
InChIKeyGEXADZNGBTZTSQ-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane?
The IUPAC name of dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane (CID 134904089) is dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane.
What is the SMILES notation for dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane?
The canonical SMILES for dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane is C=C(B1OC(C)(C)C(C)(C)O1)C1CCCC([Si](C)(C)c2ccccc2)C1.
What is the InChIKey of dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane?
The InChIKey is GEXADZNGBTZTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35BO2Si/c1-17(23-24-21(2,3)22(4,5)25-23)18-12-11-15-20(16-18)26(6,7)19-13-9-8-10-14-19/h8-10,13-14,18,20H,1,11-12,15-16H2,2-7H3.
What are the key properties of dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane?
dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane has a molecular weight of 370.42 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane is sourced from PubChem (CID 134904089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).