2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium

C19H28O2P+ — CID 173194882

IUPAC2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
SMILESCc1cc(C)c(C(=O)C2([P+](=O)CC(C)C)CCCC2)c(C)c1
InChIInChI=1S/C19H28O2P/c1-13(2)12-22(21)19(8-6-7-9-19)18(20)17-15(4)10-14(3)11-16(17)5/h10-11,13H,6-9,12H2,1-5H3/q+1
InChIKeyRTPAFHMUPUYHIP-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.59
Rot. Bonds5

About 2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium

2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium (PubChem CID 173194882) has the molecular formula C19H28O2P+ and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium.

Molecular Properties

Compound Name2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
PubChem CID173194882
Molecular FormulaC19H28O2P+
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
SMILESCc1cc(C)c(C(=O)C2([P+](=O)CC(C)C)CCCC2)c(C)c1
InChIInChI=1S/C19H28O2P/c1-13(2)12-22(21)19(8-6-7-9-19)18(20)17-15(4)10-14(3)11-16(17)5/h10-11,13H,6-9,12H2,1-5H3/q+1
InChIKeyRTPAFHMUPUYHIP-UHFFFAOYSA-N
XLogP5.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium?
The IUPAC name of 2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium (CID 173194882) is 2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium.
What is the SMILES notation for 2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium?
The canonical SMILES for 2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium is Cc1cc(C)c(C(=O)C2([P+](=O)CC(C)C)CCCC2)c(C)c1.
What is the InChIKey of 2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium?
The InChIKey is RTPAFHMUPUYHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2P/c1-13(2)12-22(21)19(8-6-7-9-19)18(20)17-15(4)10-14(3)11-16(17)5/h10-11,13H,6-9,12H2,1-5H3/q+1.
What are the key properties of 2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium?
2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium has a molecular weight of 319.41 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium is sourced from PubChem (CID 173194882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).