[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone

C29H35NO2Si — CID 101263527

IUPAC[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCC(C)(C)[Si](OCCC1(C(=O)N2CC=CC2)C=CCC=C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO2Si/c1-28(2,3)33(25-15-7-4-8-16-25,26-17-9-5-10-18-26)32-24-21-29(19-11-6-12-20-29)27(31)30-22-13-14-23-30/h4-5,7-20H,6,21-24H2,1-3H3
InChIKeyYNBHPRRWJLOJRL-UHFFFAOYSA-N
MW457.69 g/mol
LogP4.85
Rot. Bonds7

About [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone

[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone (PubChem CID 101263527) has the molecular formula C29H35NO2Si and a molecular weight of 457.69 g/mol. Its IUPAC name is [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone
PubChem CID101263527
Molecular FormulaC29H35NO2Si
Molecular Weight457.69 g/mol
Exact Mass457.24
IUPAC Name[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCC(C)(C)[Si](OCCC1(C(=O)N2CC=CC2)C=CCC=C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO2Si/c1-28(2,3)33(25-15-7-4-8-16-25,26-17-9-5-10-18-26)32-24-21-29(19-11-6-12-20-29)27(31)30-22-13-14-23-30/h4-5,7-20H,6,21-24H2,1-3H3
InChIKeyYNBHPRRWJLOJRL-UHFFFAOYSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.69
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 10863293
1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-[(Z)-3-[dimethyl(phenyl)silyl]prop-2-enyl]-N-methylcyclohexa-2,5-diene-1-carboxamide
CID 11342364
4-[Tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 85293305
[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 134887002
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide
CID 11485968
5-[Tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one
CID 140943531
5-[Tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one
CID 140943548
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one
CID 154332211
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one
CID 154364964
1-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one
CID 176343262
(E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide
CID 10526317
(Z)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-5-enamide
CID 10550232

Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone (CID 101263527) is [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone is CC(C)(C)[Si](OCCC1(C(=O)N2CC=CC2)C=CCC=C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is YNBHPRRWJLOJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO2Si/c1-28(2,3)33(25-15-7-4-8-16-25,26-17-9-5-10-18-26)32-24-21-29(19-11-6-12-20-29)27(31)30-22-13-14-23-30/h4-5,7-20H,6,21-24H2,1-3H3.
What are the key properties of [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone?
[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 457.69 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 101263527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).