methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid

C9H24O6P2 — CID 158654735

IUPACmethoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid
SMILESCCC(C)(C)P(=O)(O)O.CCCP(=O)(O)OC
InChIInChI=1S/C5H13O3P.C4H11O3P/c1-4-5(2,3)9(6,7)8;1-3-4-8(5,6)7-2/h4H2,1-3H3,(H2,6,7,8);3-4H2,1-2H3,(H,5,6)
InChIKeyIBZKIPMRPHXPFJ-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.58
Rot. Bonds5

About methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid

methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid (PubChem CID 158654735) has the molecular formula C9H24O6P2 and a molecular weight of 290.23 g/mol. Its IUPAC name is methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid.

Molecular Properties

Compound Namemethoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid
PubChem CID158654735
Molecular FormulaC9H24O6P2
Molecular Weight290.23 g/mol
Exact Mass290.10
IUPAC Namemethoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid
SMILESCCC(C)(C)P(=O)(O)O.CCCP(=O)(O)OC
InChIInChI=1S/C5H13O3P.C4H11O3P/c1-4-5(2,3)9(6,7)8;1-3-4-8(5,6)7-2/h4H2,1-3H3,(H2,6,7,8);3-4H2,1-2H3,(H,5,6)
InChIKeyIBZKIPMRPHXPFJ-UHFFFAOYSA-N
XLogP2.58
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decyl(methoxy)phosphinic acid
CID 54568982
[hydroxy(methoxy)phosphoryl]methyl-methylphosphinic acid
CID 20709857
1-dimethoxyphosphoryloctadecane;2-methylnonadecan-2-ylphosphonic acid
CID 175774191
methoxy-[5-(propylamino)pentyl]phosphinic acid
CID 155661203
[hydroxy(3-hydroxypentan-3-yl)phosphoryl]methyl-(3-hydroxypentan-3-yl)phosphinic acid
CID 13141546
4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
magnesium;dipropylphosphinic acid;hydride
CID 175497166
methoxy(methoxymethyl)phosphinic acid
CID 54547216
methoxy-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]phosphinic acid
CID 161196889
2-[hydroxy(2-hydroxypropan-2-yl)phosphoryl]ethyl-(2-hydroxypropan-2-yl)phosphinic acid;zinc
CID 87107997
2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
CID 118218579
2-hydroxy-2-[hydroxy(methoxy)phosphoryl]butanoic acid
CID 175746483

Frequently Asked Questions

What is the IUPAC name of methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid?
The IUPAC name of methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid (CID 158654735) is methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid.
What is the SMILES notation for methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid?
The canonical SMILES for methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid is CCC(C)(C)P(=O)(O)O.CCCP(=O)(O)OC.
What is the InChIKey of methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid?
The InChIKey is IBZKIPMRPHXPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P.C4H11O3P/c1-4-5(2,3)9(6,7)8;1-3-4-8(5,6)7-2/h4H2,1-3H3,(H2,6,7,8);3-4H2,1-2H3,(H,5,6).
What are the key properties of methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid?
methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid has a molecular weight of 290.23 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(propyl)phosphinic acid;2-methylbutan-2-ylphosphonic acid is sourced from PubChem (CID 158654735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).