(E)-11-diethoxyphosphorylundec-10-enal

C15H29O4P — CID 134934474

IUPAC(E)-11-diethoxyphosphorylundec-10-enal
SMILESCCOP(=O)(/C=C/CCCCCCCCC=O)OCC
InChIInChI=1S/C15H29O4P/c1-3-18-20(17,19-4-2)15-13-11-9-7-5-6-8-10-12-14-16/h13-15H,3-12H2,1-2H3/b15-13+
InChIKeyPHSJOCPYJBGMHE-FYWRMAATSA-N
MW304.37 g/mol
LogP5.09
Rot. Bonds14

About (E)-11-diethoxyphosphorylundec-10-enal

(E)-11-diethoxyphosphorylundec-10-enal (PubChem CID 134934474) has the molecular formula C15H29O4P and a molecular weight of 304.37 g/mol. Its IUPAC name is (E)-11-diethoxyphosphorylundec-10-enal.

Molecular Properties

Compound Name(E)-11-diethoxyphosphorylundec-10-enal
PubChem CID134934474
Molecular FormulaC15H29O4P
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name(E)-11-diethoxyphosphorylundec-10-enal
SMILESCCOP(=O)(/C=C/CCCCCCCCC=O)OCC
InChIInChI=1S/C15H29O4P/c1-3-18-20(17,19-4-2)15-13-11-9-7-5-6-8-10-12-14-16/h13-15H,3-12H2,1-2H3/b15-13+
InChIKeyPHSJOCPYJBGMHE-FYWRMAATSA-N
XLogP5.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-11-diethoxyphosphorylundec-10-enal?
The IUPAC name of (E)-11-diethoxyphosphorylundec-10-enal (CID 134934474) is (E)-11-diethoxyphosphorylundec-10-enal.
What is the SMILES notation for (E)-11-diethoxyphosphorylundec-10-enal?
The canonical SMILES for (E)-11-diethoxyphosphorylundec-10-enal is CCOP(=O)(/C=C/CCCCCCCCC=O)OCC.
What is the InChIKey of (E)-11-diethoxyphosphorylundec-10-enal?
The InChIKey is PHSJOCPYJBGMHE-FYWRMAATSA-N. The full InChI is InChI=1S/C15H29O4P/c1-3-18-20(17,19-4-2)15-13-11-9-7-5-6-8-10-12-14-16/h13-15H,3-12H2,1-2H3/b15-13+.
What are the key properties of (E)-11-diethoxyphosphorylundec-10-enal?
(E)-11-diethoxyphosphorylundec-10-enal has a molecular weight of 304.37 g/mol, XLogP of 5.09, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-diethoxyphosphorylundec-10-enal is sourced from PubChem (CID 134934474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).