2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C7H14BIO2 — CID 10901594

IUPAC2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CI)OC1(C)C
InChIInChI=1S/C7H14BIO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3
InChIKeyUBNNPAYFVZFWPE-UHFFFAOYSA-N
MW267.90 g/mol
LogP2.05
Rot. Bonds1

About 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 10901594) has the molecular formula C7H14BIO2 and a molecular weight of 267.90 g/mol. Its IUPAC name is 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID10901594
Molecular FormulaC7H14BIO2
Molecular Weight267.90 g/mol
Exact Mass268.01
IUPAC Name2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CI)OC1(C)C
InChIInChI=1S/C7H14BIO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3
InChIKeyUBNNPAYFVZFWPE-UHFFFAOYSA-N
XLogP2.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.90
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 10901594) is 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CI)OC1(C)C.
What is the InChIKey of 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UBNNPAYFVZFWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BIO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3.
What are the key properties of 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 267.90 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 10901594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).