5-diethoxyphosphoryl-3-ethylundeca-3,4-diene

C17H33O3P — CID 25215349

IUPAC5-diethoxyphosphoryl-3-ethylundeca-3,4-diene
SMILESCCCCCCC(=C=C(CC)CC)P(=O)(OCC)OCC
InChIInChI=1S/C17H33O3P/c1-6-11-12-13-14-17(15-16(7-2)8-3)21(18,19-9-4)20-10-5/h6-14H2,1-5H3
InChIKeyAIFYDAMUKADKFU-UHFFFAOYSA-N
MW316.42 g/mol
LogP6.45
Rot. Bonds12

About 5-diethoxyphosphoryl-3-ethylundeca-3,4-diene

5-diethoxyphosphoryl-3-ethylundeca-3,4-diene (PubChem CID 25215349) has the molecular formula C17H33O3P and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-3-ethylundeca-3,4-diene.

Molecular Properties

Compound Name5-diethoxyphosphoryl-3-ethylundeca-3,4-diene
PubChem CID25215349
Molecular FormulaC17H33O3P
Molecular Weight316.42 g/mol
Exact Mass316.22
IUPAC Name5-diethoxyphosphoryl-3-ethylundeca-3,4-diene
SMILESCCCCCCC(=C=C(CC)CC)P(=O)(OCC)OCC
InChIInChI=1S/C17H33O3P/c1-6-11-12-13-14-17(15-16(7-2)8-3)21(18,19-9-4)20-10-5/h6-14H2,1-5H3
InChIKeyAIFYDAMUKADKFU-UHFFFAOYSA-N
XLogP6.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.42
LogP ≤ 56.45
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

(3Z)-3-[diethoxyphosphoryl(iodo)methylidene]-1-iodoheptane
CID 11260538
(3E)-3-[diethoxyphosphoryl(iodo)methylidene]heptane
CID 10499626
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
5-(Diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-2-methyloct-1-ene
CID 10849072
(3E)-3-[bromo(diethoxyphosphoryl)methylidene]heptane
CID 11438817
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
4-Diethoxyphosphoryl-2-methylocta-2,3-diene
CID 25215108
5-Diethoxyphosphoryl-3-methylnona-3,4-diene
CID 25215351
Ethoxy(2-methylocta-2,3-dien-4-yl)phosphinic acid
CID 25216260
(E)-1-dibutoxyphosphoryl-2-methyldec-1-ene
CID 101255953
Copper(1+);1-diethoxyphosphoryl-2-methylhex-1-ene
CID 134889895

Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-3-ethylundeca-3,4-diene?
The IUPAC name of 5-diethoxyphosphoryl-3-ethylundeca-3,4-diene (CID 25215349) is 5-diethoxyphosphoryl-3-ethylundeca-3,4-diene.
What is the SMILES notation for 5-diethoxyphosphoryl-3-ethylundeca-3,4-diene?
The canonical SMILES for 5-diethoxyphosphoryl-3-ethylundeca-3,4-diene is CCCCCCC(=C=C(CC)CC)P(=O)(OCC)OCC.
What is the InChIKey of 5-diethoxyphosphoryl-3-ethylundeca-3,4-diene?
The InChIKey is AIFYDAMUKADKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33O3P/c1-6-11-12-13-14-17(15-16(7-2)8-3)21(18,19-9-4)20-10-5/h6-14H2,1-5H3.
What are the key properties of 5-diethoxyphosphoryl-3-ethylundeca-3,4-diene?
5-diethoxyphosphoryl-3-ethylundeca-3,4-diene has a molecular weight of 316.42 g/mol, XLogP of 6.45, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-3-ethylundeca-3,4-diene is sourced from PubChem (CID 25215349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).