2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H25BO4 — CID 143951616

IUPAC2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CC2)OCCCO3)OC1(C)C
InChIInChI=1S/C15H25BO4/c1-13(2)14(3,4)20-16(19-13)12-6-8-15(9-7-12)17-10-5-11-18-15/h6H,5,7-11H2,1-4H3
InChIKeyMLDXFOSELNJBJJ-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.86
Rot. Bonds1

About 2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 143951616) has the molecular formula C15H25BO4 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID143951616
Molecular FormulaC15H25BO4
Molecular Weight280.17 g/mol
Exact Mass280.18
IUPAC Name2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC3(CC2)OCCCO3)OC1(C)C
InChIInChI=1S/C15H25BO4/c1-13(2)14(3,4)20-16(19-13)12-6-8-15(9-7-12)17-10-5-11-18-15/h6H,5,7-11H2,1-4H3
InChIKeyMLDXFOSELNJBJJ-UHFFFAOYSA-N
XLogP2.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.86
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 2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 143951616) is 2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCC3(CC2)OCCCO3)OC1(C)C.
What is the InChIKey of 2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is MLDXFOSELNJBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO4/c1-13(2)14(3,4)20-16(19-13)12-6-8-15(9-7-12)17-10-5-11-18-15/h6H,5,7-11H2,1-4H3.
What are the key properties of 2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 280.17 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dioxaspiro[5.5]undec-9-en-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 143951616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).