[(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate

C10H19O4P — CID 129115126

IUPAC[(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate
SMILESCC/C=C\C(CC)=C(/CC)OP(=O)(O)O
InChIInChI=1S/C10H19O4P/c1-4-7-8-9(5-2)10(6-3)14-15(11,12)13/h7-8H,4-6H2,1-3H3,(H2,11,12,13)/b8-7-,10-9+
InChIKeyDLFDQUINBNCWRN-UQGDGPGGSA-N
MW234.23 g/mol
LogP3.14
Rot. Bonds6

About [(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate

[(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate (PubChem CID 129115126) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is [(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate
PubChem CID129115126
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name[(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate
SMILESCC/C=C\C(CC)=C(/CC)OP(=O)(O)O
InChIInChI=1S/C10H19O4P/c1-4-7-8-9(5-2)10(6-3)14-15(11,12)13/h7-8H,4-6H2,1-3H3,(H2,11,12,13)/b8-7-,10-9+
InChIKeyDLFDQUINBNCWRN-UQGDGPGGSA-N
XLogP3.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate?
The IUPAC name of [(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate (CID 129115126) is [(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate.
What is the SMILES notation for [(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate?
The canonical SMILES for [(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate is CC/C=C\C(CC)=C(/CC)OP(=O)(O)O.
What is the InChIKey of [(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate?
The InChIKey is DLFDQUINBNCWRN-UQGDGPGGSA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-7-8-9(5-2)10(6-3)14-15(11,12)13/h7-8H,4-6H2,1-3H3,(H2,11,12,13)/b8-7-,10-9+.
What are the key properties of [(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate?
[(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate has a molecular weight of 234.23 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-4-ethylocta-3,5-dien-3-yl] dihydrogen phosphate is sourced from PubChem (CID 129115126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).