2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H36B2O6 — CID 139055184

IUPAC2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(OC(C)(C)C(C)(C)OB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C18H36B2O6/c1-13(2)14(3,4)22-19(21-13)25-17(9,10)18(11,12)26-20-23-15(5,6)16(7,8)24-20/h1-12H3
InChIKeyIRMMXCCNPHKSKC-UHFFFAOYSA-N
MW370.10 g/mol
LogP3.75
Rot. Bonds5

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

2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 139055184) has the molecular formula C18H36B2O6 and a molecular weight of 370.10 g/mol. Its IUPAC name is 2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID139055184
Molecular FormulaC18H36B2O6
Molecular Weight370.10 g/mol
Exact Mass370.27
IUPAC Name2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(OC(C)(C)C(C)(C)OB2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C18H36B2O6/c1-13(2)14(3,4)22-19(21-13)25-17(9,10)18(11,12)26-20-23-15(5,6)16(7,8)24-20/h1-12H3
InChIKeyIRMMXCCNPHKSKC-UHFFFAOYSA-N
XLogP3.75
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.10
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 139055184) is 2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(OC(C)(C)C(C)(C)OB2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IRMMXCCNPHKSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36B2O6/c1-13(2)14(3,4)22-19(21-13)25-17(9,10)18(11,12)26-20-23-15(5,6)16(7,8)24-20/h1-12H3.
What are the key properties of 2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 370.10 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]butan-2-yl]oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 139055184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).