[diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate

C4H12O3P4 — CID 59975138

IUPAC[diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate
SMILESCOC(C)C(=O)OP(P)PP
InChIInChI=1S/C4H12O3P4/c1-3(6-2)4(5)7-11(9)10-8/h3,10H,8-9H2,1-2H3
InChIKeyLHGKFPDSHMGPEB-UHFFFAOYSA-N
MW232.03 g/mol
LogP2.14
Rot. Bonds4

About [diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate

[diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate (PubChem CID 59975138) has the molecular formula C4H12O3P4 and a molecular weight of 232.03 g/mol. Its IUPAC name is [diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate.

Molecular Properties

Compound Name[diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate
PubChem CID59975138
Molecular FormulaC4H12O3P4
Molecular Weight232.03 g/mol
Exact Mass231.97
IUPAC Name[diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate
SMILESCOC(C)C(=O)OP(P)PP
InChIInChI=1S/C4H12O3P4/c1-3(6-2)4(5)7-11(9)10-8/h3,10H,8-9H2,1-2H3
InChIKeyLHGKFPDSHMGPEB-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate?
The IUPAC name of [diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate (CID 59975138) is [diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate.
What is the SMILES notation for [diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate?
The canonical SMILES for [diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate is COC(C)C(=O)OP(P)PP.
What is the InChIKey of [diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate?
The InChIKey is LHGKFPDSHMGPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O3P4/c1-3(6-2)4(5)7-11(9)10-8/h3,10H,8-9H2,1-2H3.
What are the key properties of [diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate?
[diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate has a molecular weight of 232.03 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diphosphanyl(phosphanyl)phosphanyl] 2-methoxypropanoate is sourced from PubChem (CID 59975138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).