butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium

C20H30O2P+ — CID 173194990

IUPACbutan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium
SMILESCCC(C)[P+](=O)C1(C(=O)c2c(C)cc(C)cc2C)CCCCC1
InChIInChI=1S/C20H30O2P/c1-6-17(5)23(22)20(10-8-7-9-11-20)19(21)18-15(3)12-14(2)13-16(18)4/h12-13,17H,6-11H2,1-5H3/q+1
InChIKeyIFBIEYQIANCXSP-UHFFFAOYSA-N
MW333.43 g/mol
LogP6.12
Rot. Bonds5

About butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium

butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium (PubChem CID 173194990) has the molecular formula C20H30O2P+ and a molecular weight of 333.43 g/mol. Its IUPAC name is butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium.

Molecular Properties

Compound Namebutan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium
PubChem CID173194990
Molecular FormulaC20H30O2P+
Molecular Weight333.43 g/mol
Exact Mass333.20
IUPAC Namebutan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium
SMILESCCC(C)[P+](=O)C1(C(=O)c2c(C)cc(C)cc2C)CCCCC1
InChIInChI=1S/C20H30O2P/c1-6-17(5)23(22)20(10-8-7-9-11-20)19(21)18-15(3)12-14(2)13-16(18)4/h12-13,17H,6-11H2,1-5H3/q+1
InChIKeyIFBIEYQIANCXSP-UHFFFAOYSA-N
XLogP6.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.12
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 butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium?
The IUPAC name of butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium (CID 173194990) is butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium.
What is the SMILES notation for butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium?
The canonical SMILES for butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium is CCC(C)[P+](=O)C1(C(=O)c2c(C)cc(C)cc2C)CCCCC1.
What is the InChIKey of butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium?
The InChIKey is IFBIEYQIANCXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2P/c1-6-17(5)23(22)20(10-8-7-9-11-20)19(21)18-15(3)12-14(2)13-16(18)4/h12-13,17H,6-11H2,1-5H3/q+1.
What are the key properties of butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium?
butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium has a molecular weight of 333.43 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium is sourced from PubChem (CID 173194990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).