ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate

C16H25O5P — CID 10903560

IUPACethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate
SMILESCCOC(=O)/C=C/C=C/C=C/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C16H25O5P/c1-4-19-16(17)14-12-10-8-7-9-11-13-15-22(18,20-5-2)21-6-3/h7-14H,4-6,15H2,1-3H3/b9-7+,10-8+,13-11+,14-12+
InChIKeySPRJXKAINCLDQL-NOEJSRFCSA-N
MW328.35 g/mol
LogP4.04
Rot. Bonds11

About ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate

ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate (PubChem CID 10903560) has the molecular formula C16H25O5P and a molecular weight of 328.35 g/mol. Its IUPAC name is ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate.

Molecular Properties

Compound Nameethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate
PubChem CID10903560
Molecular FormulaC16H25O5P
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Nameethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate
SMILESCCOC(=O)/C=C/C=C/C=C/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C16H25O5P/c1-4-19-16(17)14-12-10-8-7-9-11-13-15-22(18,20-5-2)21-6-3/h7-14H,4-6,15H2,1-3H3/b9-7+,10-8+,13-11+,14-12+
InChIKeySPRJXKAINCLDQL-NOEJSRFCSA-N
XLogP4.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate?
The IUPAC name of ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate (CID 10903560) is ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate.
What is the SMILES notation for ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate?
The canonical SMILES for ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate is CCOC(=O)/C=C/C=C/C=C/C=C/CP(=O)(OCC)OCC.
What is the InChIKey of ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate?
The InChIKey is SPRJXKAINCLDQL-NOEJSRFCSA-N. The full InChI is InChI=1S/C16H25O5P/c1-4-19-16(17)14-12-10-8-7-9-11-13-15-22(18,20-5-2)21-6-3/h7-14H,4-6,15H2,1-3H3/b9-7+,10-8+,13-11+,14-12+.
What are the key properties of ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate?
ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate has a molecular weight of 328.35 g/mol, XLogP of 4.04, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E,6E,8E)-10-diethoxyphosphoryldeca-2,4,6,8-tetraenoate is sourced from PubChem (CID 10903560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).