4-ethylocta-3,5-dien-3-yl dihydrogen phosphate

C10H19O4P — CID 118627103

IUPAC4-ethylocta-3,5-dien-3-yl dihydrogen phosphate
SMILESCCC=CC(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)
InChIKeyDLFDQUINBNCWRN-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.14
Rot. Bonds6

About 4-ethylocta-3,5-dien-3-yl dihydrogen phosphate

4-ethylocta-3,5-dien-3-yl dihydrogen phosphate (PubChem CID 118627103) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-ethylocta-3,5-dien-3-yl dihydrogen phosphate.

Molecular Properties

Compound Name4-ethylocta-3,5-dien-3-yl dihydrogen phosphate
PubChem CID118627103
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name4-ethylocta-3,5-dien-3-yl dihydrogen phosphate
SMILESCCC=CC(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)
InChIKeyDLFDQUINBNCWRN-UHFFFAOYSA-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 4-ethylocta-3,5-dien-3-yl dihydrogen phosphate?
The IUPAC name of 4-ethylocta-3,5-dien-3-yl dihydrogen phosphate (CID 118627103) is 4-ethylocta-3,5-dien-3-yl dihydrogen phosphate.
What is the SMILES notation for 4-ethylocta-3,5-dien-3-yl dihydrogen phosphate?
The canonical SMILES for 4-ethylocta-3,5-dien-3-yl dihydrogen phosphate is CCC=CC(CC)=C(CC)OP(=O)(O)O.
What is the InChIKey of 4-ethylocta-3,5-dien-3-yl dihydrogen phosphate?
The InChIKey is DLFDQUINBNCWRN-UHFFFAOYSA-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).
What are the key properties of 4-ethylocta-3,5-dien-3-yl dihydrogen phosphate?
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 4-ethylocta-3,5-dien-3-yl dihydrogen phosphate is sourced from PubChem (CID 118627103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).