hex-5-enoxy(methyl)phosphinic acid

C7H15O3P — CID 89096445

IUPAChex-5-enoxy(methyl)phosphinic acid
SMILESC=CCCCCOP(C)(=O)O
InChIInChI=1S/C7H15O3P/c1-3-4-5-6-7-10-11(2,8)9/h3H,1,4-7H2,2H3,(H,8,9)
InChIKeyYSOWNVWAOHWUOZ-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.17
Rot. Bonds6

About hex-5-enoxy(methyl)phosphinic acid

hex-5-enoxy(methyl)phosphinic acid (PubChem CID 89096445) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is hex-5-enoxy(methyl)phosphinic acid.

Molecular Properties

Compound Namehex-5-enoxy(methyl)phosphinic acid
PubChem CID89096445
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Namehex-5-enoxy(methyl)phosphinic acid
SMILESC=CCCCCOP(C)(=O)O
InChIInChI=1S/C7H15O3P/c1-3-4-5-6-7-10-11(2,8)9/h3H,1,4-7H2,2H3,(H,8,9)
InChIKeyYSOWNVWAOHWUOZ-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hex-5-enoxy(methyl)phosphinic acid?
The IUPAC name of hex-5-enoxy(methyl)phosphinic acid (CID 89096445) is hex-5-enoxy(methyl)phosphinic acid.
What is the SMILES notation for hex-5-enoxy(methyl)phosphinic acid?
The canonical SMILES for hex-5-enoxy(methyl)phosphinic acid is C=CCCCCOP(C)(=O)O.
What is the InChIKey of hex-5-enoxy(methyl)phosphinic acid?
The InChIKey is YSOWNVWAOHWUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-3-4-5-6-7-10-11(2,8)9/h3H,1,4-7H2,2H3,(H,8,9).
What are the key properties of hex-5-enoxy(methyl)phosphinic acid?
hex-5-enoxy(methyl)phosphinic acid has a molecular weight of 178.17 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enoxy(methyl)phosphinic acid is sourced from PubChem (CID 89096445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).