[(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate

C29H33NO3Si — CID 102326390

IUPAC[(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate
SMILESCC(C)(C)[Si](OCC[C@H]1C=C[C@H](OC(=O)c2ccccn2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33NO3Si/c1-29(2,3)34(25-12-6-4-7-13-25,26-14-8-5-9-15-26)32-21-19-23-17-18-24(22-23)33-28(31)27-16-10-11-20-30-27/h4-18,20,23-24H,19,21-22H2,1-3H3/t23-,24+/m1/s1
InChIKeyTZVYIPPVUIEMAQ-RPWUZVMVSA-N
MW471.67 g/mol
LogP5.15
Rot. Bonds8

About [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate

[(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate (PubChem CID 102326390) has the molecular formula C29H33NO3Si and a molecular weight of 471.67 g/mol. Its IUPAC name is [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate
PubChem CID102326390
Molecular FormulaC29H33NO3Si
Molecular Weight471.67 g/mol
Exact Mass471.22
IUPAC Name[(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate
SMILESCC(C)(C)[Si](OCC[C@H]1C=C[C@H](OC(=O)c2ccccn2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33NO3Si/c1-29(2,3)34(25-12-6-4-7-13-25,26-14-8-5-9-15-26)32-21-19-23-17-18-24(22-23)33-28(31)27-16-10-11-20-30-27/h4-18,20,23-24H,19,21-22H2,1-3H3/t23-,24+/m1/s1
InChIKeyTZVYIPPVUIEMAQ-RPWUZVMVSA-N
XLogP5.15
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.67
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl 2-[2-[(1S,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl]ethyl]propanedioate
CID 135073337
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
(3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol
CID 101438231
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-hydroxy-N-pyridin-2-ylpropanamide
CID 66813497
(3R,4S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydro-2H-pyran-4-ol
CID 99865831
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670
2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
CID 91800510
2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethylcarbamic acid
CID 174053128
(1S,3R,5R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,6-dioxabicyclo[3.2.0]heptan-7-one
CID 102044469
(1R,4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(methoxymethoxy)cyclohex-2-en-1-ol
CID 15981598

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate?
The IUPAC name of [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate (CID 102326390) is [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate.
What is the SMILES notation for [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate?
The canonical SMILES for [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate is CC(C)(C)[Si](OCC[C@H]1C=C[C@H](OC(=O)c2ccccn2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate?
The InChIKey is TZVYIPPVUIEMAQ-RPWUZVMVSA-N. The full InChI is InChI=1S/C29H33NO3Si/c1-29(2,3)34(25-12-6-4-7-13-25,26-14-8-5-9-15-26)32-21-19-23-17-18-24(22-23)33-28(31)27-16-10-11-20-30-27/h4-18,20,23-24H,19,21-22H2,1-3H3/t23-,24+/m1/s1.
What are the key properties of [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate?
[(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate has a molecular weight of 471.67 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopent-2-en-1-yl] pyridine-2-carboxylate is sourced from PubChem (CID 102326390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).