methoxymethyl(pentan-3-yl)phosphinic acid

C7H17O3P — CID 118859987

IUPACmethoxymethyl(pentan-3-yl)phosphinic acid
SMILESCCC(CC)P(=O)(O)COC
InChIInChI=1S/C7H17O3P/c1-4-7(5-2)11(8,9)6-10-3/h7H,4-6H2,1-3H3,(H,8,9)
InChIKeyDTRPSWXQOPYTRG-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.05
Rot. Bonds5

About methoxymethyl(pentan-3-yl)phosphinic acid

methoxymethyl(pentan-3-yl)phosphinic acid (PubChem CID 118859987) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is methoxymethyl(pentan-3-yl)phosphinic acid.

Molecular Properties

Compound Namemethoxymethyl(pentan-3-yl)phosphinic acid
PubChem CID118859987
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Namemethoxymethyl(pentan-3-yl)phosphinic acid
SMILESCCC(CC)P(=O)(O)COC
InChIInChI=1S/C7H17O3P/c1-4-7(5-2)11(8,9)6-10-3/h7H,4-6H2,1-3H3,(H,8,9)
InChIKeyDTRPSWXQOPYTRG-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl(pentan-3-yl)phosphinic acid?
The IUPAC name of methoxymethyl(pentan-3-yl)phosphinic acid (CID 118859987) is methoxymethyl(pentan-3-yl)phosphinic acid.
What is the SMILES notation for methoxymethyl(pentan-3-yl)phosphinic acid?
The canonical SMILES for methoxymethyl(pentan-3-yl)phosphinic acid is CCC(CC)P(=O)(O)COC.
What is the InChIKey of methoxymethyl(pentan-3-yl)phosphinic acid?
The InChIKey is DTRPSWXQOPYTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-4-7(5-2)11(8,9)6-10-3/h7H,4-6H2,1-3H3,(H,8,9).
What are the key properties of methoxymethyl(pentan-3-yl)phosphinic acid?
methoxymethyl(pentan-3-yl)phosphinic acid has a molecular weight of 180.18 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl(pentan-3-yl)phosphinic acid is sourced from PubChem (CID 118859987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).