2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane

C20H41BO4 — CID 163370206

About 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane

2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane (PubChem CID 163370206) has the molecular formula C20H41BO4 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane.

Molecular Properties

• Compound Name: 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane
• PubChem CID: 163370206
• Molecular Formula: C20H41BO4
• Molecular Weight: 356.36 g/mol
• Exact Mass: 356.31
• IUPAC Name: 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane
• SMILES: CC.CC.CC.CC1(C)OB(C2=CCC3(CC2)OCCO3)OC1(C)C
• InChI: InChI=1S/C14H23BO4.3C2H6/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14;3*1-2/h5H,6-10H2,1-4H3;3*1-2H3
• InChIKey: VBGKVHNKZPBIJE-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.36
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane?

The IUPAC name of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane (CID 163370206) is 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane.

What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane?

The canonical SMILES for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane is CC.CC.CC.CC1(C)OB(C2=CCC3(CC2)OCCO3)OC1(C)C.

What is the InChIKey of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane?

The InChIKey is VBGKVHNKZPBIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BO4.3C2H6/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14;3*1-2/h5H,6-10H2,1-4H3;3*1-2H3.

What are the key properties of 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane?

2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane has a molecular weight of 356.36 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane is sourced from PubChem (CID 163370206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).