(1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane

C18H35NO4P2 — CID 13147720

IUPAC(1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane
SMILESCCCOP(OCCC)c1c(C)cc(C)n1P(OCCC)OCCC
InChIInChI=1S/C18H35NO4P2/c1-7-11-20-24(21-12-8-2)18-16(5)15-17(6)19(18)25(22-13-9-3)23-14-10-4/h15H,7-14H2,1-6H3
InChIKeyGVKLCDFDXJBHHO-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.82
Rot. Bonds14

About (1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane

(1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane (PubChem CID 13147720) has the molecular formula C18H35NO4P2 and a molecular weight of 391.43 g/mol. Its IUPAC name is (1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane.

Molecular Properties

Compound Name(1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane
PubChem CID13147720
Molecular FormulaC18H35NO4P2
Molecular Weight391.43 g/mol
Exact Mass391.20
IUPAC Name(1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane
SMILESCCCOP(OCCC)c1c(C)cc(C)n1P(OCCC)OCCC
InChIInChI=1S/C18H35NO4P2/c1-7-11-20-24(21-12-8-2)18-16(5)15-17(6)19(18)25(22-13-9-3)23-14-10-4/h15H,7-14H2,1-6H3
InChIKeyGVKLCDFDXJBHHO-UHFFFAOYSA-N
XLogP5.82
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-Bis(diethoxyphosphorylmethyl)-1-methyl-pyrrole
CID 361925
Diethyl (2,4,6-trimethylpyridin-3-yl)phosphonate
CID 166174249
2,6-Bis(diethoxyphosphorylmethyl)-4-methylpyridine
CID 87770084
3-(2-dibutoxyphosphorylethyl)-2,5-dimethyl-1H-pyrrole
CID 117708796
[6-[[Hydroxy(2-methylpropoxy)phosphoryl]methyl]-4-methyl-2-pyridinyl]methyl-(2-methylpropoxy)phosphinic acid
CID 118860033
Dihydroxy-[[6-[[hydroxy(2-methylpropoxy)phosphoryl]methyl]-4-methyl-2-pyridinyl]methyl]-(2-methylpropoxy)phosphanium
CID 118899366
2,6-Bis(2-diethoxyphosphorylethyl)-4-methylpyridine
CID 142693588
2,4-Bis(diethoxyphosphorylmethyl)-6-methylpyridine
CID 145802738
3,6-Bis(diethoxyphosphorylmethyl)-2-methylpyridine
CID 145802739
(1-Diethoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-diethoxyphosphane
CID 13147719
(1-Diethoxyphosphanyl-3,4,5-trimethylpyrrol-2-yl)-diethoxyphosphane
CID 23414560
2-(Diethoxyphosphorylmethyl)-5-methylpyrrol-1-ide
CID 101393295

Frequently Asked Questions

What is the IUPAC name of (1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane?
The IUPAC name of (1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane (CID 13147720) is (1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane.
What is the SMILES notation for (1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane?
The canonical SMILES for (1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane is CCCOP(OCCC)c1c(C)cc(C)n1P(OCCC)OCCC.
What is the InChIKey of (1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane?
The InChIKey is GVKLCDFDXJBHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4P2/c1-7-11-20-24(21-12-8-2)18-16(5)15-17(6)19(18)25(22-13-9-3)23-14-10-4/h15H,7-14H2,1-6H3.
What are the key properties of (1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane?
(1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane has a molecular weight of 391.43 g/mol, XLogP of 5.82, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dipropoxyphosphanyl-3,5-dimethylpyrrol-2-yl)-dipropoxyphosphane is sourced from PubChem (CID 13147720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).