sodium triethyl(3-methoxyprop-1-ynyl)boranuide

C10H20BNaO — CID 134890672

IUPACsodium triethyl(3-methoxyprop-1-ynyl)boranuide
SMILESCC[B-](C#CCOC)(CC)CC.[Na+]
InChIInChI=1S/C10H20BO.Na/c1-5-11(6-2,7-3)9-8-10-12-4;/h5-7,10H2,1-4H3;/q-1;+1
InChIKeyWZGZAWWMXMHDKS-UHFFFAOYSA-N
MW190.07 g/mol
LogP-0.31
Rot. Bonds4

About sodium triethyl(3-methoxyprop-1-ynyl)boranuide

sodium triethyl(3-methoxyprop-1-ynyl)boranuide (PubChem CID 134890672) has the molecular formula C10H20BNaO and a molecular weight of 190.07 g/mol. Its IUPAC name is sodium triethyl(3-methoxyprop-1-ynyl)boranuide.

Molecular Properties

Compound Namesodium triethyl(3-methoxyprop-1-ynyl)boranuide
PubChem CID134890672
Molecular FormulaC10H20BNaO
Molecular Weight190.07 g/mol
Exact Mass190.15
IUPAC Namesodium triethyl(3-methoxyprop-1-ynyl)boranuide
SMILESCC[B-](C#CCOC)(CC)CC.[Na+]
InChIInChI=1S/C10H20BO.Na/c1-5-11(6-2,7-3)9-8-10-12-4;/h5-7,10H2,1-4H3;/q-1;+1
InChIKeyWZGZAWWMXMHDKS-UHFFFAOYSA-N
XLogP-0.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 sodium triethyl(3-methoxyprop-1-ynyl)boranuide?
The IUPAC name of sodium triethyl(3-methoxyprop-1-ynyl)boranuide (CID 134890672) is sodium triethyl(3-methoxyprop-1-ynyl)boranuide.
What is the SMILES notation for sodium triethyl(3-methoxyprop-1-ynyl)boranuide?
The canonical SMILES for sodium triethyl(3-methoxyprop-1-ynyl)boranuide is CC[B-](C#CCOC)(CC)CC.[Na+].
What is the InChIKey of sodium triethyl(3-methoxyprop-1-ynyl)boranuide?
The InChIKey is WZGZAWWMXMHDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BO.Na/c1-5-11(6-2,7-3)9-8-10-12-4;/h5-7,10H2,1-4H3;/q-1;+1.
What are the key properties of sodium triethyl(3-methoxyprop-1-ynyl)boranuide?
sodium triethyl(3-methoxyprop-1-ynyl)boranuide has a molecular weight of 190.07 g/mol, XLogP of -0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium triethyl(3-methoxyprop-1-ynyl)boranuide is sourced from PubChem (CID 134890672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).