ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate

C17H31NO3Si — CID 135067372

IUPACethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate
SMILESCCOC(=O)CCC(C)n1cccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H31NO3Si/c1-8-20-16(19)12-11-14(2)18-13-9-10-15(18)21-22(6,7)17(3,4)5/h9-10,13-14H,8,11-12H2,1-7H3
InChIKeyMXLGPWBENXZVDH-UHFFFAOYSA-N
MW325.53 g/mol
LogP4.78
Rot. Bonds7

About ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate

ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate (PubChem CID 135067372) has the molecular formula C17H31NO3Si and a molecular weight of 325.53 g/mol. Its IUPAC name is ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate
PubChem CID135067372
Molecular FormulaC17H31NO3Si
Molecular Weight325.53 g/mol
Exact Mass325.21
IUPAC Nameethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate
SMILESCCOC(=O)CCC(C)n1cccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H31NO3Si/c1-8-20-16(19)12-11-14(2)18-13-9-10-15(18)21-22(6,7)17(3,4)5/h9-10,13-14H,8,11-12H2,1-7H3
InChIKeyMXLGPWBENXZVDH-UHFFFAOYSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate 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 ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate?
The IUPAC name of ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate (CID 135067372) is ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate.
What is the SMILES notation for ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate?
The canonical SMILES for ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate is CCOC(=O)CCC(C)n1cccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate?
The InChIKey is MXLGPWBENXZVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3Si/c1-8-20-16(19)12-11-14(2)18-13-9-10-15(18)21-22(6,7)17(3,4)5/h9-10,13-14H,8,11-12H2,1-7H3.
What are the key properties of ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate?
ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate has a molecular weight of 325.53 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[tert-butyl(dimethyl)silyl]oxypyrrol-1-yl]pentanoate is sourced from PubChem (CID 135067372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).