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

C17H34B2O4 — CID 91088880

IUPAC4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
SMILESCCC(C)CCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C17H34B2O4/c1-10-13(2)11-12-17(9)16(7,8)22-19(23-17)18-20-14(3,4)15(5,6)21-18/h13H,10-12H2,1-9H3
InChIKeyCKIQYSFZGWXAPM-UHFFFAOYSA-N
MW324.08 g/mol
LogP4.06
Rot. Bonds5

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

4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane (PubChem CID 91088880) has the molecular formula C17H34B2O4 and a molecular weight of 324.08 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
PubChem CID91088880
Molecular FormulaC17H34B2O4
Molecular Weight324.08 g/mol
Exact Mass324.26
IUPAC Name4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
SMILESCCC(C)CCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C17H34B2O4/c1-10-13(2)11-12-17(9)16(7,8)22-19(23-17)18-20-14(3,4)15(5,6)21-18/h13H,10-12H2,1-9H3
InChIKeyCKIQYSFZGWXAPM-UHFFFAOYSA-N
XLogP4.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.08
LogP ≤ 54.06
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 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane (CID 91088880) is 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane is CCC(C)CCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is CKIQYSFZGWXAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34B2O4/c1-10-13(2)11-12-17(9)16(7,8)22-19(23-17)18-20-14(3,4)15(5,6)21-18/h13H,10-12H2,1-9H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 324.08 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(3-methylpentyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 91088880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).