6-methylheptoxy(prop-2-enyl)phosphinic acid

C11H23O3P — CID 118354792

IUPAC6-methylheptoxy(prop-2-enyl)phosphinic acid
SMILESC=CCP(=O)(O)OCCCCCC(C)C
InChIInChI=1S/C11H23O3P/c1-4-10-15(12,13)14-9-7-5-6-8-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,12,13)
InChIKeyWEJFKFUERRVLIG-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.59
Rot. Bonds9

About 6-methylheptoxy(prop-2-enyl)phosphinic acid

6-methylheptoxy(prop-2-enyl)phosphinic acid (PubChem CID 118354792) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is 6-methylheptoxy(prop-2-enyl)phosphinic acid.

Molecular Properties

Compound Name6-methylheptoxy(prop-2-enyl)phosphinic acid
PubChem CID118354792
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name6-methylheptoxy(prop-2-enyl)phosphinic acid
SMILESC=CCP(=O)(O)OCCCCCC(C)C
InChIInChI=1S/C11H23O3P/c1-4-10-15(12,13)14-9-7-5-6-8-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,12,13)
InChIKeyWEJFKFUERRVLIG-UHFFFAOYSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.59
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 6-methylheptoxy(prop-2-enyl)phosphinic acid?
The IUPAC name of 6-methylheptoxy(prop-2-enyl)phosphinic acid (CID 118354792) is 6-methylheptoxy(prop-2-enyl)phosphinic acid.
What is the SMILES notation for 6-methylheptoxy(prop-2-enyl)phosphinic acid?
The canonical SMILES for 6-methylheptoxy(prop-2-enyl)phosphinic acid is C=CCP(=O)(O)OCCCCCC(C)C.
What is the InChIKey of 6-methylheptoxy(prop-2-enyl)phosphinic acid?
The InChIKey is WEJFKFUERRVLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3P/c1-4-10-15(12,13)14-9-7-5-6-8-11(2)3/h4,11H,1,5-10H2,2-3H3,(H,12,13).
What are the key properties of 6-methylheptoxy(prop-2-enyl)phosphinic acid?
6-methylheptoxy(prop-2-enyl)phosphinic acid has a molecular weight of 234.28 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptoxy(prop-2-enyl)phosphinic acid is sourced from PubChem (CID 118354792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).