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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Related Compounds

CID 15461
CID 15461
CID 166480
CID 166480
CID 164512
CID 164512
CID 47167
CID 47167
CID 50256
CID 50256
CID 91696
CID 91696
CID 74879
CID 74879
CID 1972026
CID 1972026
CID 11771368
CID 11771368
CID 21742
CID 21742
CID 372741
CID 372741
CID 70993
CID 70993

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).