[(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate

C11H15O4P — CID 130256561

IUPAC[(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate
SMILESC=C/C=C(\C)OP(=O)(O)O/C(C=C)=C/C=C
InChIInChI=1S/C11H15O4P/c1-5-8-10(4)14-16(12,13)15-11(7-3)9-6-2/h5-9H,1-3H2,4H3,(H,12,13)/b10-8+,11-9+
InChIKeyOGLWZWKOPOECNL-GFULKKFKSA-N
MW242.21 g/mol
LogP3.47
Rot. Bonds7

About [(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate

[(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate (PubChem CID 130256561) has the molecular formula C11H15O4P and a molecular weight of 242.21 g/mol. Its IUPAC name is [(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate.

Molecular Properties

Compound Name[(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate
PubChem CID130256561
Molecular FormulaC11H15O4P
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name[(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate
SMILESC=C/C=C(\C)OP(=O)(O)O/C(C=C)=C/C=C
InChIInChI=1S/C11H15O4P/c1-5-8-10(4)14-16(12,13)15-11(7-3)9-6-2/h5-9H,1-3H2,4H3,(H,12,13)/b10-8+,11-9+
InChIKeyOGLWZWKOPOECNL-GFULKKFKSA-N
XLogP3.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate?
The IUPAC name of [(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate (CID 130256561) is [(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate.
What is the SMILES notation for [(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate?
The canonical SMILES for [(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate is C=C/C=C(\C)OP(=O)(O)O/C(C=C)=C/C=C.
What is the InChIKey of [(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate?
The InChIKey is OGLWZWKOPOECNL-GFULKKFKSA-N. The full InChI is InChI=1S/C11H15O4P/c1-5-8-10(4)14-16(12,13)15-11(7-3)9-6-2/h5-9H,1-3H2,4H3,(H,12,13)/b10-8+,11-9+.
What are the key properties of [(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate?
[(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate has a molecular weight of 242.21 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-hexa-1,3,5-trien-3-yl] [(2E)-penta-2,4-dien-2-yl] hydrogen phosphate is sourced from PubChem (CID 130256561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).