2-ethylbut-3-enoxy(methyl)phosphinic acid

C7H15O3P — CID 123578543

IUPAC2-ethylbut-3-enoxy(methyl)phosphinic acid
SMILESC=CC(CC)COP(C)(=O)O
InChIInChI=1S/C7H15O3P/c1-4-7(5-2)6-10-11(3,8)9/h4,7H,1,5-6H2,2-3H3,(H,8,9)
InChIKeyZXDRMVZVBSMIAY-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.03
Rot. Bonds5

About 2-ethylbut-3-enoxy(methyl)phosphinic acid

2-ethylbut-3-enoxy(methyl)phosphinic acid (PubChem CID 123578543) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is 2-ethylbut-3-enoxy(methyl)phosphinic acid.

Molecular Properties

Compound Name2-ethylbut-3-enoxy(methyl)phosphinic acid
PubChem CID123578543
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Name2-ethylbut-3-enoxy(methyl)phosphinic acid
SMILESC=CC(CC)COP(C)(=O)O
InChIInChI=1S/C7H15O3P/c1-4-7(5-2)6-10-11(3,8)9/h4,7H,1,5-6H2,2-3H3,(H,8,9)
InChIKeyZXDRMVZVBSMIAY-UHFFFAOYSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.03
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 2-ethylbut-3-enoxy(methyl)phosphinic acid?
The IUPAC name of 2-ethylbut-3-enoxy(methyl)phosphinic acid (CID 123578543) is 2-ethylbut-3-enoxy(methyl)phosphinic acid.
What is the SMILES notation for 2-ethylbut-3-enoxy(methyl)phosphinic acid?
The canonical SMILES for 2-ethylbut-3-enoxy(methyl)phosphinic acid is C=CC(CC)COP(C)(=O)O.
What is the InChIKey of 2-ethylbut-3-enoxy(methyl)phosphinic acid?
The InChIKey is ZXDRMVZVBSMIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-4-7(5-2)6-10-11(3,8)9/h4,7H,1,5-6H2,2-3H3,(H,8,9).
What are the key properties of 2-ethylbut-3-enoxy(methyl)phosphinic acid?
2-ethylbut-3-enoxy(methyl)phosphinic acid has a molecular weight of 178.17 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbut-3-enoxy(methyl)phosphinic acid is sourced from PubChem (CID 123578543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).