(E)-1-diethoxyphosphorylnon-1-ene

C13H27O3P — CID 11402777

IUPAC(E)-1-diethoxyphosphorylnon-1-ene
SMILESCCCCCCC/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C13H27O3P/c1-4-7-8-9-10-11-12-13-17(14,15-5-2)16-6-3/h12-13H,4-11H2,1-3H3/b13-12+
InChIKeyVWXIUBCXENJOHN-OUKQBFOZSA-N
MW262.33 g/mol
LogP5.13
Rot. Bonds11

About (E)-1-diethoxyphosphorylnon-1-ene

(E)-1-diethoxyphosphorylnon-1-ene (PubChem CID 11402777) has the molecular formula C13H27O3P and a molecular weight of 262.33 g/mol. Its IUPAC name is (E)-1-diethoxyphosphorylnon-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphorylnon-1-ene
PubChem CID11402777
Molecular FormulaC13H27O3P
Molecular Weight262.33 g/mol
Exact Mass262.17
IUPAC Name(E)-1-diethoxyphosphorylnon-1-ene
SMILESCCCCCCC/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C13H27O3P/c1-4-7-8-9-10-11-12-13-17(14,15-5-2)16-6-3/h12-13H,4-11H2,1-3H3/b13-12+
InChIKeyVWXIUBCXENJOHN-OUKQBFOZSA-N
XLogP5.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.33
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 3-butenylphosphonate
CID 10997850
Phosphonic acid, 1-octenyl-, dioctyl ester
CID 6446661
11-Dodecenyl-phosphonofluoridic acid 1-methylethyl ester
CID 124523540
Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
Diethyl undec-10-en-1-ylphosphonate
CID 23420214
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphoryl-5-methylselanylpent-1-ene
CID 15254223

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphorylnon-1-ene?
The IUPAC name of (E)-1-diethoxyphosphorylnon-1-ene (CID 11402777) is (E)-1-diethoxyphosphorylnon-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphorylnon-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphorylnon-1-ene is CCCCCCC/C=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphorylnon-1-ene?
The InChIKey is VWXIUBCXENJOHN-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H27O3P/c1-4-7-8-9-10-11-12-13-17(14,15-5-2)16-6-3/h12-13H,4-11H2,1-3H3/b13-12+.
What are the key properties of (E)-1-diethoxyphosphorylnon-1-ene?
(E)-1-diethoxyphosphorylnon-1-ene has a molecular weight of 262.33 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphorylnon-1-ene is sourced from PubChem (CID 11402777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).