[(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate

C14H27O4P — CID 10424312

IUPAC[(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C14H27O4P/c1-6-16-19(15,17-7-2)18-12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11-
InChIKeyJSLPTLOVXLJELC-KAMYIIQDSA-N
MW290.34 g/mol
LogP4.88
Rot. Bonds10

About [(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate

[(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate (PubChem CID 10424312) has the molecular formula C14H27O4P and a molecular weight of 290.34 g/mol. Its IUPAC name is [(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate.

Molecular Properties

Compound Name[(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate
PubChem CID10424312
Molecular FormulaC14H27O4P
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Name[(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C14H27O4P/c1-6-16-19(15,17-7-2)18-12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11-
InChIKeyJSLPTLOVXLJELC-KAMYIIQDSA-N
XLogP4.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Farnesyl pyrophosphate
CID 445713
Geranyl Diphosphate
CID 445995
Geranylgeranyl pyrophosphate
CID 447277
All-trans-nonaprenyl diphosphate
CID 5280650
2-cis,6-trans-Farnesyl diphosphate
CID 445683
2-cis,6-trans,10-trans-Geranylgeranyl diphosphate
CID 5281909
All-trans-hexaprenyl diphosphate
CID 5280413
Octaprenyl diphosphate
CID 5280651
2-Trans,6-trans,10-trans-geranylgeranyl diphosphate(3-)
CID 5497105
2-Trans,6-cis-farnesyl diphosphate
CID 10970974
2-Trans,6-trans-farnesyl diphosphate(3-)
CID 15983959
All-trans-decaprenyl diphosphate
CID 5462210

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate?
The IUPAC name of [(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate (CID 10424312) is [(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate.
What is the SMILES notation for [(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate?
The canonical SMILES for [(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate is CCOP(=O)(OCC)OC/C=C(/C)CCC=C(C)C.
What is the InChIKey of [(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate?
The InChIKey is JSLPTLOVXLJELC-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H27O4P/c1-6-16-19(15,17-7-2)18-12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11-.
What are the key properties of [(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate?
[(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate has a molecular weight of 290.34 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3,7-dimethylocta-2,6-dienyl] diethyl phosphate is sourced from PubChem (CID 10424312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).