lithium hex-1-ynyl(trimethoxy)boranuide

C9H18BLiO3 — CID 134896960

IUPAClithium hex-1-ynyl(trimethoxy)boranuide
SMILESCCCCC#C[B-](OC)(OC)OC.[Li+]
InChIInChI=1S/C9H18BO3.Li/c1-5-6-7-8-9-10(11-2,12-3)13-4;/h5-7H2,1-4H3;/q-1;+1
InChIKeyGUUSXNZGSKUYPJ-UHFFFAOYSA-N
MW191.99 g/mol
LogP-1.40
Rot. Bonds5

About lithium hex-1-ynyl(trimethoxy)boranuide

lithium hex-1-ynyl(trimethoxy)boranuide (PubChem CID 134896960) has the molecular formula C9H18BLiO3 and a molecular weight of 191.99 g/mol. Its IUPAC name is lithium hex-1-ynyl(trimethoxy)boranuide.

Molecular Properties

Compound Namelithium hex-1-ynyl(trimethoxy)boranuide
PubChem CID134896960
Molecular FormulaC9H18BLiO3
Molecular Weight191.99 g/mol
Exact Mass192.15
IUPAC Namelithium hex-1-ynyl(trimethoxy)boranuide
SMILESCCCCC#C[B-](OC)(OC)OC.[Li+]
InChIInChI=1S/C9H18BO3.Li/c1-5-6-7-8-9-10(11-2,12-3)13-4;/h5-7H2,1-4H3;/q-1;+1
InChIKeyGUUSXNZGSKUYPJ-UHFFFAOYSA-N
XLogP-1.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.99
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 lithium hex-1-ynyl(trimethoxy)boranuide?
The IUPAC name of lithium hex-1-ynyl(trimethoxy)boranuide (CID 134896960) is lithium hex-1-ynyl(trimethoxy)boranuide.
What is the SMILES notation for lithium hex-1-ynyl(trimethoxy)boranuide?
The canonical SMILES for lithium hex-1-ynyl(trimethoxy)boranuide is CCCCC#C[B-](OC)(OC)OC.[Li+].
What is the InChIKey of lithium hex-1-ynyl(trimethoxy)boranuide?
The InChIKey is GUUSXNZGSKUYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BO3.Li/c1-5-6-7-8-9-10(11-2,12-3)13-4;/h5-7H2,1-4H3;/q-1;+1.
What are the key properties of lithium hex-1-ynyl(trimethoxy)boranuide?
lithium hex-1-ynyl(trimethoxy)boranuide has a molecular weight of 191.99 g/mol, XLogP of -1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hex-1-ynyl(trimethoxy)boranuide is sourced from PubChem (CID 134896960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).