(1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane

C14H27NO4P2 — CID 13147719

IUPAC(1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane
SMILESCCOP(OCC)c1c(C)cc(C)n1P(OCC)OCC
InChIInChI=1S/C14H27NO4P2/c1-7-16-20(17-8-2)14-12(5)11-13(6)15(14)21(18-9-3)19-10-4/h11H,7-10H2,1-6H3
InChIKeySXAWNDXDMINILQ-UHFFFAOYSA-N
MW335.32 g/mol
LogP4.26
Rot. Bonds10

About (1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane

(1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane (PubChem CID 13147719) has the molecular formula C14H27NO4P2 and a molecular weight of 335.32 g/mol. Its IUPAC name is (1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane.

Molecular Properties

Compound Name(1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane
PubChem CID13147719
Molecular FormulaC14H27NO4P2
Molecular Weight335.32 g/mol
Exact Mass335.14
IUPAC Name(1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane
SMILESCCOP(OCC)c1c(C)cc(C)n1P(OCC)OCC
InChIInChI=1S/C14H27NO4P2/c1-7-16-20(17-8-2)14-12(5)11-13(6)15(14)21(18-9-3)19-10-4/h11H,7-10H2,1-6H3
InChIKeySXAWNDXDMINILQ-UHFFFAOYSA-N
XLogP4.26
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane?
The IUPAC name of (1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane (CID 13147719) is (1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane.
What is the SMILES notation for (1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane?
The canonical SMILES for (1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane is CCOP(OCC)c1c(C)cc(C)n1P(OCC)OCC.
What is the InChIKey of (1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane?
The InChIKey is SXAWNDXDMINILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4P2/c1-7-16-20(17-8-2)14-12(5)11-13(6)15(14)21(18-9-3)19-10-4/h11H,7-10H2,1-6H3.
What are the key properties of (1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane?
(1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane has a molecular weight of 335.32 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane is sourced from PubChem (CID 13147719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).