ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate

C29H38O3Si — CID 52912520

IUPACethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate
SMILESC=CC1(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC=C1C(=O)OCC
InChIInChI=1S/C29H38O3Si/c1-6-29(21-14-20-26(29)27(30)31-7-2)22-15-23-32-33(28(3,4)5,24-16-10-8-11-17-24)25-18-12-9-13-19-25/h6,8-13,16-20H,1,7,14-15,21-23H2,2-5H3
InChIKeyQRCWCXHWJHIEAF-UHFFFAOYSA-N
MW462.71 g/mol
LogP5.80
Rot. Bonds10

About ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate

ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate (PubChem CID 52912520) has the molecular formula C29H38O3Si and a molecular weight of 462.71 g/mol. Its IUPAC name is ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate
PubChem CID52912520
Molecular FormulaC29H38O3Si
Molecular Weight462.71 g/mol
Exact Mass462.26
IUPAC Nameethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate
SMILESC=CC1(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC=C1C(=O)OCC
InChIInChI=1S/C29H38O3Si/c1-6-29(21-14-20-26(29)27(30)31-7-2)22-15-23-32-33(28(3,4)5,24-16-10-8-11-17-24)25-18-12-9-13-19-25/h6,8-13,16-20H,1,7,14-15,21-23H2,2-5H3
InChIKeyQRCWCXHWJHIEAF-UHFFFAOYSA-N
XLogP5.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.71
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate?
The IUPAC name of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate (CID 52912520) is ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate?
The canonical SMILES for ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate is C=CC1(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC=C1C(=O)OCC.
What is the InChIKey of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate?
The InChIKey is QRCWCXHWJHIEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38O3Si/c1-6-29(21-14-20-26(29)27(30)31-7-2)22-15-23-32-33(28(3,4)5,24-16-10-8-11-17-24)25-18-12-9-13-19-25/h6,8-13,16-20H,1,7,14-15,21-23H2,2-5H3.
What are the key properties of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate?
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate has a molecular weight of 462.71 g/mol, XLogP of 5.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-5-ethenylcyclopentene-1-carboxylate is sourced from PubChem (CID 52912520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).