6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one

C19H25BO4 — CID 58154289

IUPAC6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one
SMILESCC1(C)OB(c2ccc3c(c2)CC(=O)C32CCOCC2)OC1(C)C
InChIInChI=1S/C19H25BO4/c1-17(2)18(3,4)24-20(23-17)14-5-6-15-13(11-14)12-16(21)19(15)7-9-22-10-8-19/h5-6,11H,7-10,12H2,1-4H3
InChIKeyMECGBNYFGGUTRH-UHFFFAOYSA-N
MW328.22 g/mol
LogP2.16
Rot. Bonds1

About 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one (PubChem CID 58154289) has the molecular formula C19H25BO4 and a molecular weight of 328.22 g/mol. Its IUPAC name is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one.

Molecular Properties

Compound Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one
PubChem CID58154289
Molecular FormulaC19H25BO4
Molecular Weight328.22 g/mol
Exact Mass328.18
IUPAC Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one
SMILESCC1(C)OB(c2ccc3c(c2)CC(=O)C32CCOCC2)OC1(C)C
InChIInChI=1S/C19H25BO4/c1-17(2)18(3,4)24-20(23-17)14-5-6-15-13(11-14)12-16(21)19(15)7-9-22-10-8-19/h5-6,11H,7-10,12H2,1-4H3
InChIKeyMECGBNYFGGUTRH-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one?
The IUPAC name of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one (CID 58154289) is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one.
What is the SMILES notation for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one?
The canonical SMILES for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one is CC1(C)OB(c2ccc3c(c2)CC(=O)C32CCOCC2)OC1(C)C.
What is the InChIKey of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one?
The InChIKey is MECGBNYFGGUTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BO4/c1-17(2)18(3,4)24-20(23-17)14-5-6-15-13(11-14)12-16(21)19(15)7-9-22-10-8-19/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one?
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one has a molecular weight of 328.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,4'-oxane]-2-one is sourced from PubChem (CID 58154289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).