4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane

C17H33BO3 — CID 146168888

IUPAC4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane
SMILESCCCCC[C@@H](B1OC(C)(C)C(C)(C)O1)C1CCOCC1
InChIInChI=1S/C17H33BO3/c1-6-7-8-9-15(14-10-12-19-13-11-14)18-20-16(2,3)17(4,5)21-18/h14-15H,6-13H2,1-5H3/t15-/m1/s1
InChIKeyUKFGNHBIYXDXMN-OAHLLOKOSA-N
MW296.26 g/mol
LogP4.46
Rot. Bonds6

About 4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane (PubChem CID 146168888) has the molecular formula C17H33BO3 and a molecular weight of 296.26 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane
PubChem CID146168888
Molecular FormulaC17H33BO3
Molecular Weight296.26 g/mol
Exact Mass296.25
IUPAC Name4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane
SMILESCCCCC[C@@H](B1OC(C)(C)C(C)(C)O1)C1CCOCC1
InChIInChI=1S/C17H33BO3/c1-6-7-8-9-15(14-10-12-19-13-11-14)18-20-16(2,3)17(4,5)21-18/h14-15H,6-13H2,1-5H3/t15-/m1/s1
InChIKeyUKFGNHBIYXDXMN-OAHLLOKOSA-N
XLogP4.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane (CID 146168888) is 4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane is CCCCC[C@@H](B1OC(C)(C)C(C)(C)O1)C1CCOCC1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane?
The InChIKey is UKFGNHBIYXDXMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H33BO3/c1-6-7-8-9-15(14-10-12-19-13-11-14)18-20-16(2,3)17(4,5)21-18/h14-15H,6-13H2,1-5H3/t15-/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane has a molecular weight of 296.26 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(1R)-1-(oxan-4-yl)hexyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 146168888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).