(5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium

C18H20O3P+ — CID 150780755

IUPAC(5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium
SMILESCC=C1C(C)=CC(C)=C(C(=O)O[P+](=O)c2ccccc2)C1C
InChIInChI=1S/C18H20O3P/c1-5-16-12(2)11-13(3)17(14(16)4)18(19)21-22(20)15-9-7-6-8-10-15/h5-11,14H,1-4H3/q+1
InChIKeyCGCSODQTJHYLEA-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.46
Rot. Bonds3

About (5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium

(5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium (PubChem CID 150780755) has the molecular formula C18H20O3P+ and a molecular weight of 315.33 g/mol. Its IUPAC name is (5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium.

Molecular Properties

Compound Name(5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium
PubChem CID150780755
Molecular FormulaC18H20O3P+
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name(5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium
SMILESCC=C1C(C)=CC(C)=C(C(=O)O[P+](=O)c2ccccc2)C1C
InChIInChI=1S/C18H20O3P/c1-5-16-12(2)11-13(3)17(14(16)4)18(19)21-22(20)15-9-7-6-8-10-15/h5-11,14H,1-4H3/q+1
InChIKeyCGCSODQTJHYLEA-UHFFFAOYSA-N
XLogP4.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium?
The IUPAC name of (5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium (CID 150780755) is (5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium.
What is the SMILES notation for (5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium?
The canonical SMILES for (5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium is CC=C1C(C)=CC(C)=C(C(=O)O[P+](=O)c2ccccc2)C1C.
What is the InChIKey of (5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium?
The InChIKey is CGCSODQTJHYLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3P/c1-5-16-12(2)11-13(3)17(14(16)4)18(19)21-22(20)15-9-7-6-8-10-15/h5-11,14H,1-4H3/q+1.
What are the key properties of (5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium?
(5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium has a molecular weight of 315.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylidene-2,4,6-trimethylcyclohexa-1,3-diene-1-carbonyl)oxy-oxo-phenylphosphanium is sourced from PubChem (CID 150780755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).