(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

C16H35BO4Si — CID 154712266

IUPAC(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
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H35BO4Si/c1-12(11-19-22(9,10)14(2,3)4)13(18)17-20-15(5,6)16(7,8)21-17/h12-13,18H,11H2,1-10H3/t12-,13-/m1/s1
InChIKeyFFAVOTDKLFJPFB-CHWSQXEVSA-N
MW330.35 g/mol
LogP3.64
Rot. Bonds5

About (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

(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 (PubChem CID 154712266) has the molecular formula C16H35BO4Si and a molecular weight of 330.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID154712266
Molecular FormulaC16H35BO4Si
Molecular Weight330.35 g/mol
Exact Mass330.24
IUPAC Name(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
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H35BO4Si/c1-12(11-19-22(9,10)14(2,3)4)13(18)17-20-15(5,6)16(7,8)21-17/h12-13,18H,11H2,1-10H3/t12-,13-/m1/s1
InChIKeyFFAVOTDKLFJPFB-CHWSQXEVSA-N
XLogP3.64
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 ≤ 53.64
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

(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
Triethyl-[2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 154718826
4-[Tert-butyl(dimethyl)silyl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154718835
Tert-butyl-dimethyl-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 11278454

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (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?
The InChIKey is FFAVOTDKLFJPFB-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H35BO4Si/c1-12(11-19-22(9,10)14(2,3)4)13(18)17-20-15(5,6)16(7,8)21-17/h12-13,18H,11H2,1-10H3/t12-,13-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 330.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 154712266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).