(1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane

C15H29NO4P2 — CID 23414560

IUPAC(1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane
SMILESCCOP(OCC)c1c(C)c(C)c(C)n1P(OCC)OCC
InChIInChI=1S/C15H29NO4P2/c1-8-17-21(18-9-2)15-13(6)12(5)14(7)16(15)22(19-10-3)20-11-4/h8-11H2,1-7H3
InChIKeyVVPUCRJDHGVMQN-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.57
Rot. Bonds10

About (1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane

(1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane (PubChem CID 23414560) has the molecular formula C15H29NO4P2 and a molecular weight of 349.35 g/mol. Its IUPAC name is (1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane.

Molecular Properties

Compound Name(1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane
PubChem CID23414560
Molecular FormulaC15H29NO4P2
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name(1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane
SMILESCCOP(OCC)c1c(C)c(C)c(C)n1P(OCC)OCC
InChIInChI=1S/C15H29NO4P2/c1-8-17-21(18-9-2)15-13(6)12(5)14(7)16(15)22(19-10-3)20-11-4/h8-11H2,1-7H3
InChIKeyVVPUCRJDHGVMQN-UHFFFAOYSA-N
XLogP4.57
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.57
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-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane?
The IUPAC name of (1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane (CID 23414560) is (1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane.
What is the SMILES notation for (1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane?
The canonical SMILES for (1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane is CCOP(OCC)c1c(C)c(C)c(C)n1P(OCC)OCC.
What is the InChIKey of (1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane?
The InChIKey is VVPUCRJDHGVMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4P2/c1-8-17-21(18-9-2)15-13(6)12(5)14(7)16(15)22(19-10-3)20-11-4/h8-11H2,1-7H3.
What are the key properties of (1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane?
(1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane has a molecular weight of 349.35 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane is sourced from PubChem (CID 23414560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).