triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane

C18H39BO3Si — CID 134996778

IUPACtriethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane
SMILESCC[C@@H](O[Si](CC)(CC)CC)[C@@H](CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H39BO3Si/c1-10-15(19-21-17(6,7)18(8,9)22-19)16(11-2)20-23(12-3,13-4)14-5/h15-16H,10-14H2,1-9H3/t15-,16-/m1/s1
InChIKeyVTCMAYDXDLJKJG-HZPDHXFCSA-N
MW342.41 g/mol
LogP5.66
Rot. Bonds9

About triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane

triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane (PubChem CID 134996778) has the molecular formula C18H39BO3Si and a molecular weight of 342.41 g/mol. Its IUPAC name is triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane
PubChem CID134996778
Molecular FormulaC18H39BO3Si
Molecular Weight342.41 g/mol
Exact Mass342.28
IUPAC Nametriethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane
SMILESCC[C@@H](O[Si](CC)(CC)CC)[C@@H](CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H39BO3Si/c1-10-15(19-21-17(6,7)18(8,9)22-19)16(11-2)20-23(12-3,13-4)14-5/h15-16H,10-14H2,1-9H3/t15-,16-/m1/s1
InChIKeyVTCMAYDXDLJKJG-HZPDHXFCSA-N
XLogP5.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.41
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

rac-tert-butyldimethyl{[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy}silane
CID 155858826
Tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 151148555
Tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane
CID 14927838
Tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane
CID 57373170
Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 73067164
tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 134956994
tert-butyl-dimethyl-[(2S)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 135008079
tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 135008422
tert-Butyldimethyl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy)silane
CID 138980576
Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 154712526
Triethyl-[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 154718826
tert-Butyldimethyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy)silane
CID 69088283

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane?
The IUPAC name of triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane (CID 134996778) is triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane?
The canonical SMILES for triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane is CC[C@@H](O[Si](CC)(CC)CC)[C@@H](CC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane?
The InChIKey is VTCMAYDXDLJKJG-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H39BO3Si/c1-10-15(19-21-17(6,7)18(8,9)22-19)16(11-2)20-23(12-3,13-4)14-5/h15-16H,10-14H2,1-9H3/t15-,16-/m1/s1.
What are the key properties of triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane?
triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane has a molecular weight of 342.41 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane is sourced from PubChem (CID 134996778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).