4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane

C16H32B2O5 — CID 10616081

IUPAC4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCCCOB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C16H32B2O5/c1-13(2)14(3,4)21-17(20-13)11-9-10-12-19-18-22-15(5,6)16(7,8)23-18/h9-12H2,1-8H3
InChIKeyFCGVKJCYROBFME-UHFFFAOYSA-N
MW326.05 g/mol
LogP3.46
Rot. Bonds6

About 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane (PubChem CID 10616081) has the molecular formula C16H32B2O5 and a molecular weight of 326.05 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane
PubChem CID10616081
Molecular FormulaC16H32B2O5
Molecular Weight326.05 g/mol
Exact Mass326.24
IUPAC Name4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCCCOB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C16H32B2O5/c1-13(2)14(3,4)21-17(20-13)11-9-10-12-19-18-22-15(5,6)16(7,8)23-18/h9-12H2,1-8H3
InChIKeyFCGVKJCYROBFME-UHFFFAOYSA-N
XLogP3.46
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.05
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane (CID 10616081) is 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane is CC1(C)OB(CCCCOB2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane?
The InChIKey is FCGVKJCYROBFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32B2O5/c1-13(2)14(3,4)21-17(20-13)11-9-10-12-19-18-22-15(5,6)16(7,8)23-18/h9-12H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane has a molecular weight of 326.05 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane is sourced from PubChem (CID 10616081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).