triethyl(3-methoxyprop-1-ynyl)boranuide

C10H20BO- — CID 134890673

IUPACtriethyl(3-methoxyprop-1-ynyl)boranuide
SMILESCC[B-](C#CCOC)(CC)CC
InChIInChI=1S/C10H20BO/c1-5-11(6-2,7-3)9-8-10-12-4/h5-7,10H2,1-4H3/q-1
InChIKeyNOXDOTNKZFXIMA-UHFFFAOYSA-N
MW167.08 g/mol
LogP2.68
Rot. Bonds4

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

triethyl(3-methoxyprop-1-ynyl)boranuide (PubChem CID 134890673) has the molecular formula C10H20BO- and a molecular weight of 167.08 g/mol. Its IUPAC name is triethyl(3-methoxyprop-1-ynyl)boranuide.

Molecular Properties

Compound Nametriethyl(3-methoxyprop-1-ynyl)boranuide
PubChem CID134890673
Molecular FormulaC10H20BO-
Molecular Weight167.08 g/mol
Exact Mass167.16
IUPAC Nametriethyl(3-methoxyprop-1-ynyl)boranuide
SMILESCC[B-](C#CCOC)(CC)CC
InChIInChI=1S/C10H20BO/c1-5-11(6-2,7-3)9-8-10-12-4/h5-7,10H2,1-4H3/q-1
InChIKeyNOXDOTNKZFXIMA-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 52.68
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 triethyl(3-methoxyprop-1-ynyl)boranuide?
The IUPAC name of triethyl(3-methoxyprop-1-ynyl)boranuide (CID 134890673) is triethyl(3-methoxyprop-1-ynyl)boranuide.
What is the SMILES notation for triethyl(3-methoxyprop-1-ynyl)boranuide?
The canonical SMILES for triethyl(3-methoxyprop-1-ynyl)boranuide is CC[B-](C#CCOC)(CC)CC.
What is the InChIKey of triethyl(3-methoxyprop-1-ynyl)boranuide?
The InChIKey is NOXDOTNKZFXIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BO/c1-5-11(6-2,7-3)9-8-10-12-4/h5-7,10H2,1-4H3/q-1.
What are the key properties of triethyl(3-methoxyprop-1-ynyl)boranuide?
triethyl(3-methoxyprop-1-ynyl)boranuide has a molecular weight of 167.08 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(3-methoxyprop-1-ynyl)boranuide is sourced from PubChem (CID 134890673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).