diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane

C15H32B2O2 — CID 86177372

IUPACdiethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane
SMILESCCB(CC)CCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H32B2O2/c1-7-16(8-2)12-10-9-11-13-17-18-14(3,4)15(5,6)19-17/h7-13H2,1-6H3
InChIKeyDKLXNQRNQUBOHX-UHFFFAOYSA-N
MW266.04 g/mol
LogP4.78
Rot. Bonds8

About diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane

diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane (PubChem CID 86177372) has the molecular formula C15H32B2O2 and a molecular weight of 266.04 g/mol. Its IUPAC name is diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane.

Molecular Properties

Compound Namediethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane
PubChem CID86177372
Molecular FormulaC15H32B2O2
Molecular Weight266.04 g/mol
Exact Mass266.26
IUPAC Namediethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane
SMILESCCB(CC)CCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H32B2O2/c1-7-16(8-2)12-10-9-11-13-17-18-14(3,4)15(5,6)19-17/h7-13H2,1-6H3
InChIKeyDKLXNQRNQUBOHX-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane?
The IUPAC name of diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane (CID 86177372) is diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane.
What is the SMILES notation for diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane?
The canonical SMILES for diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane is CCB(CC)CCCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane?
The InChIKey is DKLXNQRNQUBOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32B2O2/c1-7-16(8-2)12-10-9-11-13-17-18-14(3,4)15(5,6)19-17/h7-13H2,1-6H3.
What are the key properties of diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane?
diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane has a molecular weight of 266.04 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane is sourced from PubChem (CID 86177372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).