1-(2-methylpropoxy)propylboranuide

C7H17BO — CID 123199874

IUPAC1-(2-methylpropoxy)propylboranuide
SMILES[BH3-][C+](CC)OCC(C)C
InChIInChI=1S/C7H17BO/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3,8H3
InChIKeyDSPDVOHRHAYJQO-UHFFFAOYSA-N
MW128.02 g/mol
LogP0.92
Rot. Bonds4

About 1-(2-methylpropoxy)propylboranuide

1-(2-methylpropoxy)propylboranuide (PubChem CID 123199874) has the molecular formula C7H17BO and a molecular weight of 128.02 g/mol. Its IUPAC name is 1-(2-methylpropoxy)propylboranuide.

Molecular Properties

Compound Name1-(2-methylpropoxy)propylboranuide
PubChem CID123199874
Molecular FormulaC7H17BO
Molecular Weight128.02 g/mol
Exact Mass128.14
IUPAC Name1-(2-methylpropoxy)propylboranuide
SMILES[BH3-][C+](CC)OCC(C)C
InChIInChI=1S/C7H17BO/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3,8H3
InChIKeyDSPDVOHRHAYJQO-UHFFFAOYSA-N
XLogP0.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.02
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)propylboranuide?
The IUPAC name of 1-(2-methylpropoxy)propylboranuide (CID 123199874) is 1-(2-methylpropoxy)propylboranuide.
What is the SMILES notation for 1-(2-methylpropoxy)propylboranuide?
The canonical SMILES for 1-(2-methylpropoxy)propylboranuide is [BH3-][C+](CC)OCC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)propylboranuide?
The InChIKey is DSPDVOHRHAYJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17BO/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3,8H3.
What are the key properties of 1-(2-methylpropoxy)propylboranuide?
1-(2-methylpropoxy)propylboranuide has a molecular weight of 128.02 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)propylboranuide is sourced from PubChem (CID 123199874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).