ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid

C8H13O3P — CID 88760750

IUPACethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid
SMILESC=CCC(C=C)OP(=O)(O)C=C
InChIInChI=1S/C8H13O3P/c1-4-7-8(5-2)11-12(9,10)6-3/h4-6,8H,1-3,7H2,(H,9,10)
InChIKeyXBXVYAKLOWZHHU-UHFFFAOYSA-N
MW188.16 g/mol
LogP2.46
Rot. Bonds6

About ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid

ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid (PubChem CID 88760750) has the molecular formula C8H13O3P and a molecular weight of 188.16 g/mol. Its IUPAC name is ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid.

Molecular Properties

Compound Nameethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid
PubChem CID88760750
Molecular FormulaC8H13O3P
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Nameethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid
SMILESC=CCC(C=C)OP(=O)(O)C=C
InChIInChI=1S/C8H13O3P/c1-4-7-8(5-2)11-12(9,10)6-3/h4-6,8H,1-3,7H2,(H,9,10)
InChIKeyXBXVYAKLOWZHHU-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid?
The IUPAC name of ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid (CID 88760750) is ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid.
What is the SMILES notation for ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid?
The canonical SMILES for ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid is C=CCC(C=C)OP(=O)(O)C=C.
What is the InChIKey of ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid?
The InChIKey is XBXVYAKLOWZHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O3P/c1-4-7-8(5-2)11-12(9,10)6-3/h4-6,8H,1-3,7H2,(H,9,10).
What are the key properties of ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid?
ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid has a molecular weight of 188.16 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(hexa-1,5-dien-3-yloxy)phosphinic acid is sourced from PubChem (CID 88760750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).