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

C10H20BIO2 — CID 100963624

IUPAC2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC(I)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H20BIO2/c1-6-7-8(12)11-13-9(2,3)10(4,5)14-11/h8H,6-7H2,1-5H3
InChIKeyRXSCWUBGMAATHZ-UHFFFAOYSA-N
MW309.98 g/mol
LogP3.22
Rot. Bonds3

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

2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 100963624) has the molecular formula C10H20BIO2 and a molecular weight of 309.98 g/mol. Its IUPAC name is 2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID100963624
Molecular FormulaC10H20BIO2
Molecular Weight309.98 g/mol
Exact Mass310.06
IUPAC Name2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC(I)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H20BIO2/c1-6-7-8(12)11-13-9(2,3)10(4,5)14-11/h8H,6-7H2,1-5H3
InChIKeyRXSCWUBGMAATHZ-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.98
LogP ≤ 53.22
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-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 100963624) is 2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC(I)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RXSCWUBGMAATHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BIO2/c1-6-7-8(12)11-13-9(2,3)10(4,5)14-11/h8H,6-7H2,1-5H3.
What are the key properties of 2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 309.98 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 100963624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).