2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane

C8H16BIO2 — CID 147531185

IUPAC2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
SMILESCC1(C)COB(C(C)(C)I)OC1
InChIInChI=1S/C8H16BIO2/c1-7(2)5-11-9(12-6-7)8(3,4)10/h5-6H2,1-4H3
InChIKeyFNBKQXWFKXBQSM-UHFFFAOYSA-N
MW281.93 g/mol
LogP2.30
Rot. Bonds1

About 2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane

2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (PubChem CID 147531185) has the molecular formula C8H16BIO2 and a molecular weight of 281.93 g/mol. Its IUPAC name is 2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
PubChem CID147531185
Molecular FormulaC8H16BIO2
Molecular Weight281.93 g/mol
Exact Mass282.03
IUPAC Name2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
SMILESCC1(C)COB(C(C)(C)I)OC1
InChIInChI=1S/C8H16BIO2/c1-7(2)5-11-9(12-6-7)8(3,4)10/h5-6H2,1-4H3
InChIKeyFNBKQXWFKXBQSM-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.93
LogP ≤ 52.30
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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Related Compounds

2-(2,3-dimethylbutan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
CID 71658146
2-(iodomethyl)-5,5-dimethyl-1,3,2-dioxaborinane
CID 12776542
2-tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-1,3,2-dioxaborinane;tert-butyl(methyl)borinic acid;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158028414
5,5-dimethyl-1,3,2-dioxaborinane-2-carbonitrile
CID 140624236
5,5-dimethyl-2-propyl-1,3,2-dioxaborinane
CID 13053051
2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane
CID 15256202
2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23261978
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methylbutanenitrile
CID 140624106
2-benzhydryl-5,5-dimethyl-1,3,2-dioxaborinane
CID 134949720
2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane
CID 86061964
5,5-dimethyl-2-[(1E)-4-methylpenta-1,3-dienyl]-1,3,2-dioxaborinane
CID 14927829
10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol
CID 15474960

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane?
The IUPAC name of 2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (CID 147531185) is 2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane.
What is the SMILES notation for 2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane?
The canonical SMILES for 2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane is CC1(C)COB(C(C)(C)I)OC1.
What is the InChIKey of 2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane?
The InChIKey is FNBKQXWFKXBQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BIO2/c1-7(2)5-11-9(12-6-7)8(3,4)10/h5-6H2,1-4H3.
What are the key properties of 2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane?
2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane has a molecular weight of 281.93 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodopropan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 147531185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).