5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one

C23H42BNO4Si — CID 58070492

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one
SMILESCC(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C23H42BNO4Si/c1-16(2)30(17(3)4,18(5)6)27-15-19(7)25-14-20(12-13-21(25)26)24-28-22(8,9)23(10,11)29-24/h12-14,16-19H,15H2,1-11H3
InChIKeyPWVLMMOFPBALAW-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.90
Rot. Bonds8

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one (PubChem CID 58070492) has the molecular formula C23H42BNO4Si and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one
PubChem CID58070492
Molecular FormulaC23H42BNO4Si
Molecular Weight435.49 g/mol
Exact Mass435.30
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one
SMILESCC(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C23H42BNO4Si/c1-16(2)30(17(3)4,18(5)6)27-15-19(7)25-14-20(12-13-21(25)26)24-28-22(8,9)23(10,11)29-24/h12-14,16-19H,15H2,1-11H3
InChIKeyPWVLMMOFPBALAW-UHFFFAOYSA-N
XLogP4.90
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one (CID 58070492) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one is CC(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one?
The InChIKey is PWVLMMOFPBALAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42BNO4Si/c1-16(2)30(17(3)4,18(5)6)27-15-19(7)25-14-20(12-13-21(25)26)24-28-22(8,9)23(10,11)29-24/h12-14,16-19H,15H2,1-11H3.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one has a molecular weight of 435.49 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[1-tri(propan-2-yl)silyloxypropan-2-yl]pyridin-2-one is sourced from PubChem (CID 58070492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).