3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol

C13H25NO2Si — CID 91459438

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol
SMILESCc1c[nH]c(O)c1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NO2Si/c1-10-9-14-12(15)11(10)7-8-16-17(5,6)13(2,3)4/h9,14-15H,7-8H2,1-6H3
InChIKeyUDAFDMDZZCSKHY-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.59
Rot. Bonds4

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol (PubChem CID 91459438) has the molecular formula C13H25NO2Si and a molecular weight of 255.43 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol
PubChem CID91459438
Molecular FormulaC13H25NO2Si
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol
SMILESCc1c[nH]c(O)c1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25NO2Si/c1-10-9-14-12(15)11(10)7-8-16-17(5,6)13(2,3)4/h9,14-15H,7-8H2,1-6H3
InChIKeyUDAFDMDZZCSKHY-UHFFFAOYSA-N
XLogP3.59
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[2-(7-methyl-1H-indol-3-yl)ethoxy]silane
CID 141078795
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
2-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]furan-2-yl]acetic acid
CID 69168510
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid
CID 18629051
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid
CID 70285360
tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane
CID 171613136
[2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 102215591
tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane
CID 171613311
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]ethanol
CID 70662083
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbonitrile
CID 145416294
tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane
CID 57332924
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate
CID 102271787

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol (CID 91459438) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol is Cc1c[nH]c(O)c1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol?
The InChIKey is UDAFDMDZZCSKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2Si/c1-10-9-14-12(15)11(10)7-8-16-17(5,6)13(2,3)4/h9,14-15H,7-8H2,1-6H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol has a molecular weight of 255.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol is sourced from PubChem (CID 91459438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).