2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H27BO2 — CID 166439683

IUPAC2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)C[C@H](C)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H27BO2/c1-10(2)8-11(3)9-14-15-12(4,5)13(6,7)16-14/h10-11H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyLJFGYEYVYDKMKJ-NSHDSACASA-N
MW226.17 g/mol
LogP3.76
Rot. Bonds4

About 2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 166439683) has the molecular formula C13H27BO2 and a molecular weight of 226.17 g/mol. Its IUPAC name is 2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID166439683
Molecular FormulaC13H27BO2
Molecular Weight226.17 g/mol
Exact Mass226.21
IUPAC Name2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)C[C@H](C)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H27BO2/c1-10(2)8-11(3)9-14-15-12(4,5)13(6,7)16-14/h10-11H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyLJFGYEYVYDKMKJ-NSHDSACASA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2773615
2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727711
Tert-butylboronic acid pinacol ester
CID 3301663
2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10942698
4,4,5,5-Tetramethyl-2-(2-methylpropyl)-1,3,2-dioxaborolane
CID 13491253
2-(Cyclohexylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14425021
2-(Cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15260005
4,4,5,5-Tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane
CID 86014281
2-(Cyclopropylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101544409
4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 10103569
rac-4,4,5,5-tetramethyl-2-[(1R,2R)-2-methylcyclopropyl]-1,3,2-dioxaborolane
CID 67008889
2-(Cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102198915

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 166439683) is 2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)C[C@H](C)CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LJFGYEYVYDKMKJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H27BO2/c1-10(2)8-11(3)9-14-15-12(4,5)13(6,7)16-14/h10-11H,8-9H2,1-7H3/t11-/m0/s1.
What are the key properties of 2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 226.17 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 166439683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).