boranylidyneborane;oxolane

C4H8B2O — CID 131714434

IUPACboranylidyneborane;oxolane
SMILESB#B.C1CCOC1
InChIInChI=1S/C4H8O.B2/c1-2-4-5-3-1;1-2/h1-4H2;
InChIKeyNNTVQPWMKSWFJR-UHFFFAOYSA-N
MW93.73 g/mol
LogP0.04
Rot. Bonds

About boranylidyneborane;oxolane

boranylidyneborane;oxolane (PubChem CID 131714434) has the molecular formula C4H8B2O and a molecular weight of 93.73 g/mol. Its IUPAC name is boranylidyneborane;oxolane.

Molecular Properties

Compound Nameboranylidyneborane;oxolane
PubChem CID131714434
Molecular FormulaC4H8B2O
Molecular Weight93.73 g/mol
Exact Mass94.08
IUPAC Nameboranylidyneborane;oxolane
SMILESB#B.C1CCOC1
InChIInChI=1S/C4H8O.B2/c1-2-4-5-3-1;1-2/h1-4H2;
InChIKeyNNTVQPWMKSWFJR-UHFFFAOYSA-N
XLogP0.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.73
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxacycloheptadecane
CID 22011753
oxolane;titanium
CID 160710512
cyclohexane;oxane
CID 20574508
oxolane;oxonane
CID 159283889

Frequently Asked Questions

What is the IUPAC name of boranylidyneborane;oxolane?
The IUPAC name of boranylidyneborane;oxolane (CID 131714434) is boranylidyneborane;oxolane.
What is the SMILES notation for boranylidyneborane;oxolane?
The canonical SMILES for boranylidyneborane;oxolane is B#B.C1CCOC1.
What is the InChIKey of boranylidyneborane;oxolane?
The InChIKey is NNTVQPWMKSWFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.B2/c1-2-4-5-3-1;1-2/h1-4H2;.
What are the key properties of boranylidyneborane;oxolane?
boranylidyneborane;oxolane has a molecular weight of 93.73 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for boranylidyneborane;oxolane is sourced from PubChem (CID 131714434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).