(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene

C15H29O3P — CID 10589442

IUPAC(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
SMILESC=CC/C(=C(\CC)CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C15H29O3P/c1-6-11-13-14(8-3)15(12-7-2)19(16,17-9-4)18-10-5/h7H,2,6,8-13H2,1,3-5H3/b15-14-
InChIKeyKKUHHJXMQNMWSU-PFONDFGASA-N
MW288.37 g/mol
LogP5.68
Rot. Bonds11

About (4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene

(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene (PubChem CID 10589442) has the molecular formula C15H29O3P and a molecular weight of 288.37 g/mol. Its IUPAC name is (4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene.

Molecular Properties

Compound Name(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
PubChem CID10589442
Molecular FormulaC15H29O3P
Molecular Weight288.37 g/mol
Exact Mass288.19
IUPAC Name(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
SMILESC=CC/C(=C(\CC)CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C15H29O3P/c1-6-11-13-14(8-3)15(12-7-2)19(16,17-9-4)18-10-5/h7H,2,6,8-13H2,1,3-5H3/b15-14-
InChIKeyKKUHHJXMQNMWSU-PFONDFGASA-N
XLogP5.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
1-(2-Diethoxyphosphorylethynyl)cyclohexene
CID 11085937
4-Diethoxyphosphorylcyclohexene
CID 85519806
1-Diethoxyphosphorylcyclohexene
CID 10560750
Phosphonic acid, 7-octenyl-, diethyl ester
CID 10682001
Diethoxyphosphorylcyclopentene
CID 10774533
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
Diethyl oct-1-en-1-ylphosphonate
CID 54302676
(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
CID 134870879

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene?
The IUPAC name of (4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene (CID 10589442) is (4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene.
What is the SMILES notation for (4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene?
The canonical SMILES for (4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene is C=CC/C(=C(\CC)CCCC)P(=O)(OCC)OCC.
What is the InChIKey of (4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene?
The InChIKey is KKUHHJXMQNMWSU-PFONDFGASA-N. The full InChI is InChI=1S/C15H29O3P/c1-6-11-13-14(8-3)15(12-7-2)19(16,17-9-4)18-10-5/h7H,2,6,8-13H2,1,3-5H3/b15-14-.
What are the key properties of (4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene?
(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene has a molecular weight of 288.37 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene is sourced from PubChem (CID 10589442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).