hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid

C9H15O3P — CID 88759572

IUPAChexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid
SMILESC=CCC(C=C)OP(=O)(O)C(=C)C
InChIInChI=1S/C9H15O3P/c1-5-7-9(6-2)12-13(10,11)8(3)4/h5-6,9H,1-3,7H2,4H3,(H,10,11)
InChIKeyJDECUSIYICDNGL-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.85
Rot. Bonds6

About hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid

hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid (PubChem CID 88759572) has the molecular formula C9H15O3P and a molecular weight of 202.19 g/mol. Its IUPAC name is hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid.

Molecular Properties

Compound Namehexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid
PubChem CID88759572
Molecular FormulaC9H15O3P
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Namehexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid
SMILESC=CCC(C=C)OP(=O)(O)C(=C)C
InChIInChI=1S/C9H15O3P/c1-5-7-9(6-2)12-13(10,11)8(3)4/h5-6,9H,1-3,7H2,4H3,(H,10,11)
InChIKeyJDECUSIYICDNGL-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.85
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 hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid?
The IUPAC name of hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid (CID 88759572) is hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid.
What is the SMILES notation for hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid?
The canonical SMILES for hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid is C=CCC(C=C)OP(=O)(O)C(=C)C.
What is the InChIKey of hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid?
The InChIKey is JDECUSIYICDNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3P/c1-5-7-9(6-2)12-13(10,11)8(3)4/h5-6,9H,1-3,7H2,4H3,(H,10,11).
What are the key properties of hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid?
hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid has a molecular weight of 202.19 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,5-dien-3-yloxy(prop-1-en-2-yl)phosphinic acid is sourced from PubChem (CID 88759572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).