(7-methoxy-2,7-dioxoheptyl)phosphonic acid

C8H15O6P — CID 21497644

IUPAC(7-methoxy-2,7-dioxoheptyl)phosphonic acid
SMILESCOC(=O)CCCCC(=O)CP(=O)(O)O
InChIInChI=1S/C8H15O6P/c1-14-8(10)5-3-2-4-7(9)6-15(11,12)13/h2-6H2,1H3,(H2,11,12,13)
InChIKeyIVIXSOZDOCEUMR-UHFFFAOYSA-N
MW238.18 g/mol
LogP0.47
Rot. Bonds7

About (7-methoxy-2,7-dioxoheptyl)phosphonic acid

(7-methoxy-2,7-dioxoheptyl)phosphonic acid (PubChem CID 21497644) has the molecular formula C8H15O6P and a molecular weight of 238.18 g/mol. Its IUPAC name is (7-methoxy-2,7-dioxoheptyl)phosphonic acid.

Molecular Properties

Compound Name(7-methoxy-2,7-dioxoheptyl)phosphonic acid
PubChem CID21497644
Molecular FormulaC8H15O6P
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Name(7-methoxy-2,7-dioxoheptyl)phosphonic acid
SMILESCOC(=O)CCCCC(=O)CP(=O)(O)O
InChIInChI=1S/C8H15O6P/c1-14-8(10)5-3-2-4-7(9)6-15(11,12)13/h2-6H2,1H3,(H2,11,12,13)
InChIKeyIVIXSOZDOCEUMR-UHFFFAOYSA-N
XLogP0.47
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dimethyl 9-oxooctadecanedioate
CID 544455
1-dimethoxyphosphorylheptan-2-one;methyl hexanoate
CID 121271648
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 7-amino-6-oxoheptanoate
CID 86034752
methyl 6-oxoundecanoate
CID 12920411
methyl 5-phosphonooxypentanoate
CID 138740971
(7-methyl-2-oxooctyl)phosphonic acid
CID 87368556

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2,7-dioxoheptyl)phosphonic acid?
The IUPAC name of (7-methoxy-2,7-dioxoheptyl)phosphonic acid (CID 21497644) is (7-methoxy-2,7-dioxoheptyl)phosphonic acid.
What is the SMILES notation for (7-methoxy-2,7-dioxoheptyl)phosphonic acid?
The canonical SMILES for (7-methoxy-2,7-dioxoheptyl)phosphonic acid is COC(=O)CCCCC(=O)CP(=O)(O)O.
What is the InChIKey of (7-methoxy-2,7-dioxoheptyl)phosphonic acid?
The InChIKey is IVIXSOZDOCEUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O6P/c1-14-8(10)5-3-2-4-7(9)6-15(11,12)13/h2-6H2,1H3,(H2,11,12,13).
What are the key properties of (7-methoxy-2,7-dioxoheptyl)phosphonic acid?
(7-methoxy-2,7-dioxoheptyl)phosphonic acid has a molecular weight of 238.18 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2,7-dioxoheptyl)phosphonic acid is sourced from PubChem (CID 21497644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).