trimethoxy(pent-1-ynyl)boranuide

C8H16BO3- — CID 134884633

IUPACtrimethoxy(pent-1-ynyl)boranuide
SMILESCCCC#C[B-](OC)(OC)OC
InChIInChI=1S/C8H16BO3/c1-5-6-7-8-9(10-2,11-3)12-4/h5-6H2,1-4H3/q-1
InChIKeyZRNNAQFQYFKVGK-UHFFFAOYSA-N
MW171.02 g/mol
LogP1.21
Rot. Bonds4

About trimethoxy(pent-1-ynyl)boranuide

trimethoxy(pent-1-ynyl)boranuide (PubChem CID 134884633) has the molecular formula C8H16BO3- and a molecular weight of 171.02 g/mol. Its IUPAC name is trimethoxy(pent-1-ynyl)boranuide.

Molecular Properties

Compound Nametrimethoxy(pent-1-ynyl)boranuide
PubChem CID134884633
Molecular FormulaC8H16BO3-
Molecular Weight171.02 g/mol
Exact Mass171.12
IUPAC Nametrimethoxy(pent-1-ynyl)boranuide
SMILESCCCC#C[B-](OC)(OC)OC
InChIInChI=1S/C8H16BO3/c1-5-6-7-8-9(10-2,11-3)12-4/h5-6H2,1-4H3/q-1
InChIKeyZRNNAQFQYFKVGK-UHFFFAOYSA-N
XLogP1.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.02
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethoxy(pent-1-ynyl)boranuide?
The IUPAC name of trimethoxy(pent-1-ynyl)boranuide (CID 134884633) is trimethoxy(pent-1-ynyl)boranuide.
What is the SMILES notation for trimethoxy(pent-1-ynyl)boranuide?
The canonical SMILES for trimethoxy(pent-1-ynyl)boranuide is CCCC#C[B-](OC)(OC)OC.
What is the InChIKey of trimethoxy(pent-1-ynyl)boranuide?
The InChIKey is ZRNNAQFQYFKVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BO3/c1-5-6-7-8-9(10-2,11-3)12-4/h5-6H2,1-4H3/q-1.
What are the key properties of trimethoxy(pent-1-ynyl)boranuide?
trimethoxy(pent-1-ynyl)boranuide has a molecular weight of 171.02 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(pent-1-ynyl)boranuide is sourced from PubChem (CID 134884633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).