oxolane;triethylborane

C10H23BO — CID 12979806

IUPACoxolane;triethylborane
SMILESC1CCOC1.CCB(CC)CC
InChIInChI=1S/C6H15B.C4H8O/c1-4-7(5-2)6-3;1-2-4-5-3-1/h4-6H2,1-3H3;1-4H2
InChIKeyPNUHMQOYKCSNPU-UHFFFAOYSA-N
MW170.10 g/mol
LogP3.34
Rot. Bonds3

About oxolane;triethylborane

oxolane;triethylborane (PubChem CID 12979806) has the molecular formula C10H23BO and a molecular weight of 170.10 g/mol. Its IUPAC name is oxolane;triethylborane.

Molecular Properties

Compound Nameoxolane;triethylborane
PubChem CID12979806
Molecular FormulaC10H23BO
Molecular Weight170.10 g/mol
Exact Mass170.18
IUPAC Nameoxolane;triethylborane
SMILESC1CCOC1.CCB(CC)CC
InChIInChI=1S/C6H15B.C4H8O/c1-4-7(5-2)6-3;1-2-4-5-3-1/h4-6H2,1-3H3;1-4H2
InChIKeyPNUHMQOYKCSNPU-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxolane;triethylborane?
The IUPAC name of oxolane;triethylborane (CID 12979806) is oxolane;triethylborane.
What is the SMILES notation for oxolane;triethylborane?
The canonical SMILES for oxolane;triethylborane is C1CCOC1.CCB(CC)CC.
What is the InChIKey of oxolane;triethylborane?
The InChIKey is PNUHMQOYKCSNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15B.C4H8O/c1-4-7(5-2)6-3;1-2-4-5-3-1/h4-6H2,1-3H3;1-4H2.
What are the key properties of oxolane;triethylborane?
oxolane;triethylborane has a molecular weight of 170.10 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;triethylborane is sourced from PubChem (CID 12979806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).