pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid

C8H15O3P — CID 88760390

IUPACpent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid
SMILESC=CC(CC)OP(=O)(O)C(=C)C
InChIInChI=1S/C8H15O3P/c1-5-8(6-2)11-12(9,10)7(3)4/h5,8H,1,3,6H2,2,4H3,(H,9,10)
InChIKeyUIULVXHGDTXONA-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.69
Rot. Bonds5

About pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid

pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid (PubChem CID 88760390) has the molecular formula C8H15O3P and a molecular weight of 190.18 g/mol. Its IUPAC name is pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid.

Molecular Properties

Compound Namepent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid
PubChem CID88760390
Molecular FormulaC8H15O3P
Molecular Weight190.18 g/mol
Exact Mass190.08
IUPAC Namepent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid
SMILESC=CC(CC)OP(=O)(O)C(=C)C
InChIInChI=1S/C8H15O3P/c1-5-8(6-2)11-12(9,10)7(3)4/h5,8H,1,3,6H2,2,4H3,(H,9,10)
InChIKeyUIULVXHGDTXONA-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.69
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 pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid?
The IUPAC name of pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid (CID 88760390) is pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid.
What is the SMILES notation for pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid?
The canonical SMILES for pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid is C=CC(CC)OP(=O)(O)C(=C)C.
What is the InChIKey of pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid?
The InChIKey is UIULVXHGDTXONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O3P/c1-5-8(6-2)11-12(9,10)7(3)4/h5,8H,1,3,6H2,2,4H3,(H,9,10).
What are the key properties of pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid?
pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid has a molecular weight of 190.18 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-en-3-yloxy(prop-1-en-2-yl)phosphinic acid is sourced from PubChem (CID 88760390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).