[7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid

C12H23O6P — CID 70606312

IUPAC[7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid
SMILESO=C(CCCCCOC1CCCCO1)CP(=O)(O)O
InChIInChI=1S/C12H23O6P/c13-11(10-19(14,15)16)6-2-1-4-8-17-12-7-3-5-9-18-12/h12H,1-10H2,(H2,14,15,16)
InChIKeyFELLTPVYIATEMY-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.84
Rot. Bonds9

About [7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid

[7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid (PubChem CID 70606312) has the molecular formula C12H23O6P and a molecular weight of 294.28 g/mol. Its IUPAC name is [7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid.

Molecular Properties

Compound Name[7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid
PubChem CID70606312
Molecular FormulaC12H23O6P
Molecular Weight294.28 g/mol
Exact Mass294.12
IUPAC Name[7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid
SMILESO=C(CCCCCOC1CCCCO1)CP(=O)(O)O
InChIInChI=1S/C12H23O6P/c13-11(10-19(14,15)16)6-2-1-4-8-17-12-7-3-5-9-18-12/h12H,1-10H2,(H2,14,15,16)
InChIKeyFELLTPVYIATEMY-UHFFFAOYSA-N
XLogP1.84
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.84
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

1-diethoxyphosphoryl-9-(oxan-2-yloxy)nonan-2-one
CID 121355402
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one
CID 71407763
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
2-(12-bromododecoxy)oxane
CID 11078592
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-octacosoxyoxane
CID 11214102
2-(12-chlorododecoxy)oxane
CID 14014573

Frequently Asked Questions

What is the IUPAC name of [7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid?
The IUPAC name of [7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid (CID 70606312) is [7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid.
What is the SMILES notation for [7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid?
The canonical SMILES for [7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid is O=C(CCCCCOC1CCCCO1)CP(=O)(O)O.
What is the InChIKey of [7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid?
The InChIKey is FELLTPVYIATEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O6P/c13-11(10-19(14,15)16)6-2-1-4-8-17-12-7-3-5-9-18-12/h12H,1-10H2,(H2,14,15,16).
What are the key properties of [7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid?
[7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid has a molecular weight of 294.28 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid is sourced from PubChem (CID 70606312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).