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

C16H33BO3Si — CID 155858826

IUPACtert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane
SMILESCC1(C)OB([C@@H]2C[C@H]2CO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C16H33BO3Si/c1-14(2,3)21(8,9)18-11-12-10-13(12)17-19-15(4,5)16(6,7)20-17/h12-13H,10-11H2,1-9H3/t12-,13+/m0/s1
InChIKeyVPYJHKWXPHLMSE-QWHCGFSZSA-N
MW312.34 g/mol
LogP4.49
Rot. Bonds4

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

tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane (PubChem CID 155858826) has the molecular formula C16H33BO3Si and a molecular weight of 312.34 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane
PubChem CID155858826
Molecular FormulaC16H33BO3Si
Molecular Weight312.34 g/mol
Exact Mass312.23
IUPAC Nametert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane
SMILESCC1(C)OB([C@@H]2C[C@H]2CO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C16H33BO3Si/c1-14(2,3)21(8,9)18-11-12-10-13(12)17-19-15(4,5)16(6,7)20-17/h12-13H,10-11H2,1-9H3/t12-,13+/m0/s1
InChIKeyVPYJHKWXPHLMSE-QWHCGFSZSA-N
XLogP4.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane (CID 155858826) is tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane is CC1(C)OB([C@@H]2C[C@H]2CO[Si](C)(C)C(C)(C)C)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane?
The InChIKey is VPYJHKWXPHLMSE-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H33BO3Si/c1-14(2,3)21(8,9)18-11-12-10-13(12)17-19-15(4,5)16(6,7)20-17/h12-13H,10-11H2,1-9H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane?
tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane has a molecular weight of 312.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane is sourced from PubChem (CID 155858826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).