[(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid

C7H13O4P — CID 177409347

IUPAC[(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid
SMILESC/C=C(CC)\C(O)=C\P(=O)(O)O
InChIInChI=1S/C7H13O4P/c1-3-6(4-2)7(8)5-12(9,10)11/h3,5,8H,4H2,1-2H3,(H2,9,10,11)/b6-3-,7-5-
InChIKeyZWOHPSFZDVBTRY-KKWTZDJOSA-N
MW192.15 g/mol
LogP1.92
Rot. Bonds3

About [(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid

[(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid (PubChem CID 177409347) has the molecular formula C7H13O4P and a molecular weight of 192.15 g/mol. Its IUPAC name is [(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid.

Molecular Properties

Compound Name[(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid
PubChem CID177409347
Molecular FormulaC7H13O4P
Molecular Weight192.15 g/mol
Exact Mass192.06
IUPAC Name[(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid
SMILESC/C=C(CC)\C(O)=C\P(=O)(O)O
InChIInChI=1S/C7H13O4P/c1-3-6(4-2)7(8)5-12(9,10)11/h3,5,8H,4H2,1-2H3,(H2,9,10,11)/b6-3-,7-5-
InChIKeyZWOHPSFZDVBTRY-KKWTZDJOSA-N
XLogP1.92
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 51.92
H-Bond Donors ≤ 53
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 [(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid?
The IUPAC name of [(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid (CID 177409347) is [(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid.
What is the SMILES notation for [(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid?
The canonical SMILES for [(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid is C/C=C(CC)\C(O)=C\P(=O)(O)O.
What is the InChIKey of [(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid?
The InChIKey is ZWOHPSFZDVBTRY-KKWTZDJOSA-N. The full InChI is InChI=1S/C7H13O4P/c1-3-6(4-2)7(8)5-12(9,10)11/h3,5,8H,4H2,1-2H3,(H2,9,10,11)/b6-3-,7-5-.
What are the key properties of [(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid?
[(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid has a molecular weight of 192.15 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid is sourced from PubChem (CID 177409347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).