4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

C16H35BO4Si — CID 154718835

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC(O)(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H35BO4Si/c1-13(2,3)22(9,10)19-12-11-16(8,18)17-20-14(4,5)15(6,7)21-17/h18H,11-12H2,1-10H3
InChIKeyKBPOPLVSRDSYQP-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.78
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (PubChem CID 154718835) has the molecular formula C16H35BO4Si and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
PubChem CID154718835
Molecular FormulaC16H35BO4Si
Molecular Weight330.35 g/mol
Exact Mass330.24
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
SMILESCC(O)(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H35BO4Si/c1-13(2,3)22(9,10)19-12-11-16(8,18)17-20-14(4,5)15(6,7)21-17/h18H,11-12H2,1-10H3
InChIKeyKBPOPLVSRDSYQP-UHFFFAOYSA-N
XLogP3.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 151148555
Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 73067164
(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154712266
(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154712267
tert-butyl-dimethyl-[(2R,3S)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane
CID 154712268
tert-butyl-dimethyl-[(2R,3R)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxypropoxy]silane
CID 154712269
tert-Butyldimethyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy)silane
CID 69088283
Triethyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-triethylsilyloxybutan-2-yl]oxysilane
CID 173742529
Tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 173771431
tert-butyl-dimethyl-[(3R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 11702399
tert-butyl-dimethyl-[(3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 102188715
Tri(propan-2-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 132550023

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol (CID 154718835) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is CC(O)(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
The InChIKey is KBPOPLVSRDSYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35BO4Si/c1-13(2,3)22(9,10)19-12-11-16(8,18)17-20-14(4,5)15(6,7)21-17/h18H,11-12H2,1-10H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol?
4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol has a molecular weight of 330.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol is sourced from PubChem (CID 154718835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).