3-methylbutyl-oxo-phenylphosphanium

C11H16OP+ — CID 141015924

IUPAC3-methylbutyl-oxo-phenylphosphanium
SMILESCC(C)CC[P+](=O)c1ccccc1
InChIInChI=1S/C11H16OP/c1-10(2)8-9-13(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/q+1
InChIKeyQMQVJFJCPUSXPM-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.19
Rot. Bonds4

About 3-methylbutyl-oxo-phenylphosphanium

3-methylbutyl-oxo-phenylphosphanium (PubChem CID 141015924) has the molecular formula C11H16OP+ and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-methylbutyl-oxo-phenylphosphanium.

Molecular Properties

Compound Name3-methylbutyl-oxo-phenylphosphanium
PubChem CID141015924
Molecular FormulaC11H16OP+
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-methylbutyl-oxo-phenylphosphanium
SMILESCC(C)CC[P+](=O)c1ccccc1
InChIInChI=1S/C11H16OP/c1-10(2)8-9-13(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/q+1
InChIKeyQMQVJFJCPUSXPM-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl-oxo-phenylphosphanium?
The IUPAC name of 3-methylbutyl-oxo-phenylphosphanium (CID 141015924) is 3-methylbutyl-oxo-phenylphosphanium.
What is the SMILES notation for 3-methylbutyl-oxo-phenylphosphanium?
The canonical SMILES for 3-methylbutyl-oxo-phenylphosphanium is CC(C)CC[P+](=O)c1ccccc1.
What is the InChIKey of 3-methylbutyl-oxo-phenylphosphanium?
The InChIKey is QMQVJFJCPUSXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OP/c1-10(2)8-9-13(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/q+1.
What are the key properties of 3-methylbutyl-oxo-phenylphosphanium?
3-methylbutyl-oxo-phenylphosphanium has a molecular weight of 195.22 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl-oxo-phenylphosphanium is sourced from PubChem (CID 141015924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).