[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane

C27H40NOPSi — CID 58160444

IUPAC[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane
SMILESCOCC1CCCN1CC1C(P(c2ccccc2)c2ccccc2)CCC1[Si](C)(C)C
InChIInChI=1S/C27H40NOPSi/c1-29-21-22-12-11-19-28(22)20-25-26(17-18-27(25)31(2,3)4)30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,22,25-27H,11-12,17-21H2,1-4H3
InChIKeyXDPZVTTXYWQFLA-UHFFFAOYSA-N
MW453.68 g/mol
LogP5.72
Rot. Bonds8

About [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane

[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane (PubChem CID 58160444) has the molecular formula C27H40NOPSi and a molecular weight of 453.68 g/mol. Its IUPAC name is [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane
PubChem CID58160444
Molecular FormulaC27H40NOPSi
Molecular Weight453.68 g/mol
Exact Mass453.26
IUPAC Name[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane
SMILESCOCC1CCCN1CC1C(P(c2ccccc2)c2ccccc2)CCC1[Si](C)(C)C
InChIInChI=1S/C27H40NOPSi/c1-29-21-22-12-11-19-28(22)20-25-26(17-18-27(25)31(2,3)4)30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,22,25-27H,11-12,17-21H2,1-4H3
InChIKeyXDPZVTTXYWQFLA-UHFFFAOYSA-N
XLogP5.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.68
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane?
The IUPAC name of [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane (CID 58160444) is [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane.
What is the SMILES notation for [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane?
The canonical SMILES for [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane is COCC1CCCN1CC1C(P(c2ccccc2)c2ccccc2)CCC1[Si](C)(C)C.
What is the InChIKey of [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane?
The InChIKey is XDPZVTTXYWQFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40NOPSi/c1-29-21-22-12-11-19-28(22)20-25-26(17-18-27(25)31(2,3)4)30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,22,25-27H,11-12,17-21H2,1-4H3.
What are the key properties of [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane?
[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane has a molecular weight of 453.68 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-trimethylsilylcyclopentyl]-diphenylphosphane is sourced from PubChem (CID 58160444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).