6-diethoxyphosphoryldeca-4,5-diene

C14H27O3P — CID 25215346

IUPAC6-diethoxyphosphoryldeca-4,5-diene
SMILESCCCC=C=C(CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O3P/c1-5-9-11-13-14(12-10-6-2)18(15,16-7-3)17-8-4/h11H,5-10,12H2,1-4H3
InChIKeyOOCQOXYIOVSDOV-UHFFFAOYSA-N
MW274.34 g/mol
LogP5.28
Rot. Bonds10

About 6-diethoxyphosphoryldeca-4,5-diene

6-diethoxyphosphoryldeca-4,5-diene (PubChem CID 25215346) has the molecular formula C14H27O3P and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-diethoxyphosphoryldeca-4,5-diene.

Molecular Properties

Compound Name6-diethoxyphosphoryldeca-4,5-diene
PubChem CID25215346
Molecular FormulaC14H27O3P
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Name6-diethoxyphosphoryldeca-4,5-diene
SMILESCCCC=C=C(CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O3P/c1-5-9-11-13-14(12-10-6-2)18(15,16-7-3)17-8-4/h11H,5-10,12H2,1-4H3
InChIKeyOOCQOXYIOVSDOV-UHFFFAOYSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.34
LogP ≤ 55.28
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 3-butenylphosphonate
CID 10997850
Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhept-1-ene
CID 85795853
(E)-1-chloro-1-diethoxyphosphoryloct-1-ene
CID 134933959
6-Diethoxyphosphorylhex-1-ene
CID 10466042
Phosphonic acid, 7-octenyl-, diethyl ester
CID 10682001

Frequently Asked Questions

What is the IUPAC name of 6-diethoxyphosphoryldeca-4,5-diene?
The IUPAC name of 6-diethoxyphosphoryldeca-4,5-diene (CID 25215346) is 6-diethoxyphosphoryldeca-4,5-diene.
What is the SMILES notation for 6-diethoxyphosphoryldeca-4,5-diene?
The canonical SMILES for 6-diethoxyphosphoryldeca-4,5-diene is CCCC=C=C(CCCC)P(=O)(OCC)OCC.
What is the InChIKey of 6-diethoxyphosphoryldeca-4,5-diene?
The InChIKey is OOCQOXYIOVSDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O3P/c1-5-9-11-13-14(12-10-6-2)18(15,16-7-3)17-8-4/h11H,5-10,12H2,1-4H3.
What are the key properties of 6-diethoxyphosphoryldeca-4,5-diene?
6-diethoxyphosphoryldeca-4,5-diene has a molecular weight of 274.34 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphoryldeca-4,5-diene is sourced from PubChem (CID 25215346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).