ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium

C17H28O2P+ — CID 89284186

IUPACethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium
SMILESCCO[P+](=O)C/C=C(C)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H28O2P/c1-6-19-20(18)14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h8-9,11-13H,6-7,10,14H2,1-5H3/q+1/b12-8+,16-11+,17-13+
InChIKeyXBOKQGMCRBIXPC-NPGZCLSRSA-N
MW295.38 g/mol
LogP5.96
Rot. Bonds9

About ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium

ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium (PubChem CID 89284186) has the molecular formula C17H28O2P+ and a molecular weight of 295.38 g/mol. Its IUPAC name is ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium
PubChem CID89284186
Molecular FormulaC17H28O2P+
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nameethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium
SMILESCCO[P+](=O)C/C=C(C)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H28O2P/c1-6-19-20(18)14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h8-9,11-13H,6-7,10,14H2,1-5H3/q+1/b12-8+,16-11+,17-13+
InChIKeyXBOKQGMCRBIXPC-NPGZCLSRSA-N
XLogP5.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.38
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium?
The IUPAC name of ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium (CID 89284186) is ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium.
What is the SMILES notation for ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium?
The canonical SMILES for ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium is CCO[P+](=O)C/C=C(C)/C=C/C=C(\C)CCC=C(C)C.
What is the InChIKey of ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium?
The InChIKey is XBOKQGMCRBIXPC-NPGZCLSRSA-N. The full InChI is InChI=1S/C17H28O2P/c1-6-19-20(18)14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h8-9,11-13H,6-7,10,14H2,1-5H3/q+1/b12-8+,16-11+,17-13+.
What are the key properties of ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium?
ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium has a molecular weight of 295.38 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium is sourced from PubChem (CID 89284186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).