ethoxy-(oxolan-3-yl)-pent-1-ynylborane

C11H19BO2 — CID 86227142

IUPACethoxy-(oxolan-3-yl)-pent-1-ynylborane
SMILESCCCC#CB(OCC)C1CCOC1
InChIInChI=1S/C11H19BO2/c1-3-5-6-8-12(14-4-2)11-7-9-13-10-11/h11H,3-5,7,9-10H2,1-2H3
InChIKeyZKLFXEMGIZPOLV-UHFFFAOYSA-N
MW194.08 g/mol
LogP2.15
Rot. Bonds4

About ethoxy-(oxolan-3-yl)-pent-1-ynylborane

ethoxy-(oxolan-3-yl)-pent-1-ynylborane (PubChem CID 86227142) has the molecular formula C11H19BO2 and a molecular weight of 194.08 g/mol. Its IUPAC name is ethoxy-(oxolan-3-yl)-pent-1-ynylborane.

Molecular Properties

Compound Nameethoxy-(oxolan-3-yl)-pent-1-ynylborane
PubChem CID86227142
Molecular FormulaC11H19BO2
Molecular Weight194.08 g/mol
Exact Mass194.15
IUPAC Nameethoxy-(oxolan-3-yl)-pent-1-ynylborane
SMILESCCCC#CB(OCC)C1CCOC1
InChIInChI=1S/C11H19BO2/c1-3-5-6-8-12(14-4-2)11-7-9-13-10-11/h11H,3-5,7,9-10H2,1-2H3
InChIKeyZKLFXEMGIZPOLV-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.08
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-(oxolan-3-yl)-pent-1-ynylborane?
The IUPAC name of ethoxy-(oxolan-3-yl)-pent-1-ynylborane (CID 86227142) is ethoxy-(oxolan-3-yl)-pent-1-ynylborane.
What is the SMILES notation for ethoxy-(oxolan-3-yl)-pent-1-ynylborane?
The canonical SMILES for ethoxy-(oxolan-3-yl)-pent-1-ynylborane is CCCC#CB(OCC)C1CCOC1.
What is the InChIKey of ethoxy-(oxolan-3-yl)-pent-1-ynylborane?
The InChIKey is ZKLFXEMGIZPOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BO2/c1-3-5-6-8-12(14-4-2)11-7-9-13-10-11/h11H,3-5,7,9-10H2,1-2H3.
What are the key properties of ethoxy-(oxolan-3-yl)-pent-1-ynylborane?
ethoxy-(oxolan-3-yl)-pent-1-ynylborane has a molecular weight of 194.08 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(oxolan-3-yl)-pent-1-ynylborane is sourced from PubChem (CID 86227142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).