(6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene

C15H27O3P — CID 11483047

IUPAC(6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene
SMILESC=C=CCC/C(=C/P(=O)(OCC)OCC)CCCC
InChIInChI=1S/C15H27O3P/c1-5-9-11-13-15(12-10-6-2)14-19(16,17-7-3)18-8-4/h9,14H,1,6-8,10-13H2,2-4H3/b15-14+
InChIKeyVTRDXEUMKUTIJX-CCEZHUSRSA-N
MW286.35 g/mol
LogP5.45
Rot. Bonds11

About (6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene

(6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene (PubChem CID 11483047) has the molecular formula C15H27O3P and a molecular weight of 286.35 g/mol. Its IUPAC name is (6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene.

Molecular Properties

Compound Name(6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene
PubChem CID11483047
Molecular FormulaC15H27O3P
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Name(6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene
SMILESC=C=CCC/C(=C/P(=O)(OCC)OCC)CCCC
InChIInChI=1S/C15H27O3P/c1-5-9-11-13-15(12-10-6-2)14-19(16,17-7-3)18-8-4/h9,14H,1,6-8,10-13H2,2-4H3/b15-14+
InChIKeyVTRDXEUMKUTIJX-CCEZHUSRSA-N
XLogP5.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.35
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
Diethyl (2-cyclohexylideneethenyl)phosphonate
CID 12473820
Diethyl undec-10-en-1-ylphosphonate
CID 23420214
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
Diethoxyphosphorylmethylidenecyclohexane
CID 12860450
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhept-1-ene
CID 85795853
(Z)-1-dibutoxyphosphoryldec-1-ene
CID 134934042
6-Diethoxyphosphorylhex-1-ene
CID 10466042
Phosphonic acid, 7-octenyl-, diethyl ester
CID 10682001
(E)-1-diethoxyphosphorylhept-1-ene
CID 10879051

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene?
The IUPAC name of (6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene (CID 11483047) is (6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene.
What is the SMILES notation for (6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene?
The canonical SMILES for (6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene is C=C=CCC/C(=C/P(=O)(OCC)OCC)CCCC.
What is the InChIKey of (6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene?
The InChIKey is VTRDXEUMKUTIJX-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H27O3P/c1-5-9-11-13-15(12-10-6-2)14-19(16,17-7-3)18-8-4/h9,14H,1,6-8,10-13H2,2-4H3/b15-14+.
What are the key properties of (6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene?
(6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene has a molecular weight of 286.35 g/mol, XLogP of 5.45, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(diethoxyphosphorylmethylidene)deca-1,2-diene is sourced from PubChem (CID 11483047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).