bis(2-hydroxyethoxy)boranylformonitrile

C5H10BNO4 — CID 101086924

IUPACbis(2-hydroxyethoxy)boranylformonitrile
SMILESN#CB(OCCO)OCCO
InChIInChI=1S/C5H10BNO4/c7-5-6(10-3-1-8)11-4-2-9/h8-9H,1-4H2
InChIKeyHLTYORRJCIPACI-UHFFFAOYSA-N
MW158.95 g/mol
LogP-1.44
Rot. Bonds6

About bis(2-hydroxyethoxy)boranylformonitrile

bis(2-hydroxyethoxy)boranylformonitrile (PubChem CID 101086924) has the molecular formula C5H10BNO4 and a molecular weight of 158.95 g/mol. Its IUPAC name is bis(2-hydroxyethoxy)boranylformonitrile.

Molecular Properties

Compound Namebis(2-hydroxyethoxy)boranylformonitrile
PubChem CID101086924
Molecular FormulaC5H10BNO4
Molecular Weight158.95 g/mol
Exact Mass159.07
IUPAC Namebis(2-hydroxyethoxy)boranylformonitrile
SMILESN#CB(OCCO)OCCO
InChIInChI=1S/C5H10BNO4/c7-5-6(10-3-1-8)11-4-2-9/h8-9H,1-4H2
InChIKeyHLTYORRJCIPACI-UHFFFAOYSA-N
XLogP-1.44
TPSA82.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.95
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 bis(2-hydroxyethoxy)boranylformonitrile?
The IUPAC name of bis(2-hydroxyethoxy)boranylformonitrile (CID 101086924) is bis(2-hydroxyethoxy)boranylformonitrile.
What is the SMILES notation for bis(2-hydroxyethoxy)boranylformonitrile?
The canonical SMILES for bis(2-hydroxyethoxy)boranylformonitrile is N#CB(OCCO)OCCO.
What is the InChIKey of bis(2-hydroxyethoxy)boranylformonitrile?
The InChIKey is HLTYORRJCIPACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BNO4/c7-5-6(10-3-1-8)11-4-2-9/h8-9H,1-4H2.
What are the key properties of bis(2-hydroxyethoxy)boranylformonitrile?
bis(2-hydroxyethoxy)boranylformonitrile has a molecular weight of 158.95 g/mol, XLogP of -1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethoxy)boranylformonitrile is sourced from PubChem (CID 101086924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).