tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane

C18H39BO3Si — CID 135008422

IUPACtert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
SMILESCC(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H39BO3Si/c1-14(13-20-23(10,11)16(3,4)5)12-15(2)19-21-17(6,7)18(8,9)22-19/h14-15H,12-13H2,1-11H3/t14-,15?/m1/s1
InChIKeyAXRKCDFFBATHBP-GICMACPYSA-N
MW342.41 g/mol
LogP5.52
Rot. Bonds6

About tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane

tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane (PubChem CID 135008422) has the molecular formula C18H39BO3Si and a molecular weight of 342.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
PubChem CID135008422
Molecular FormulaC18H39BO3Si
Molecular Weight342.41 g/mol
Exact Mass342.28
IUPAC Nametert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
SMILESCC(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H39BO3Si/c1-14(13-20-23(10,11)16(3,4)5)12-15(2)19-21-17(6,7)18(8,9)22-19/h14-15H,12-13H2,1-11H3/t14-,15?/m1/s1
InChIKeyAXRKCDFFBATHBP-GICMACPYSA-N
XLogP5.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.41
LogP ≤ 55.52
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
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
triethyl-[(3R,4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-yl]oxysilane
CID 134996778
tert-butyl-dimethyl-[(2S)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 135008079
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
5,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane
CID 154713110
Triethyl-[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 154718826
trimethyl-[(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 154719188

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane (CID 135008422) is tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane is CC(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane?
The InChIKey is AXRKCDFFBATHBP-GICMACPYSA-N. The full InChI is InChI=1S/C18H39BO3Si/c1-14(13-20-23(10,11)16(3,4)5)12-15(2)19-21-17(6,7)18(8,9)22-19/h14-15H,12-13H2,1-11H3/t14-,15?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane?
tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane has a molecular weight of 342.41 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane is sourced from PubChem (CID 135008422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).