[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol

C14H27NOSi — CID 14890920

IUPAC[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(CO)c1
InChIInChI=1S/C14H27NOSi/c1-11(2)17(12(3)4,13(5)6)15-8-7-14(9-15)10-16/h7-9,11-13,16H,10H2,1-6H3
InChIKeyHVFHEULDQNKZEC-UHFFFAOYSA-N
MW253.46 g/mol
LogP4.00
Rot. Bonds5

About [1-tri(propan-2-yl)silylpyrrol-3-yl]methanol

[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol (PubChem CID 14890920) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is [1-tri(propan-2-yl)silylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol
PubChem CID14890920
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc(CO)c1
InChIInChI=1S/C14H27NOSi/c1-11(2)17(12(3)4,13(5)6)15-8-7-14(9-15)10-16/h7-9,11-13,16H,10H2,1-6H3
InChIKeyHVFHEULDQNKZEC-UHFFFAOYSA-N
XLogP4.00
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpyrrole-3-methanol
CID 149434
(1H-Pyrrol-3-yl)methanol
CID 21983502
[1-(Trifluoromethyl)pyrrol-3-yl]methanol
CID 21221494
[4-(Trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol
CID 140747701
(4-Methyl-1-prop-2-enylpyrrol-3-yl)methanol
CID 134962578
[1-(Difluoromethyl)pyrrol-3-yl]methanol
CID 66397422
[1-(2,2,2-Trifluoroethyl)pyrrol-3-yl]methanol
CID 66398477
[1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrrol-3-yl]methanol
CID 66398925
[1-(3,3,3-Trifluoropropyl)pyrrol-3-yl]methanol
CID 66399128
[1-(2,2-Difluoroethyl)pyrrol-3-yl]methanol
CID 82006918
[1-(2,2,2-Trifluoroethoxymethyl)pyrrol-3-yl]methanol
CID 106705433
[1-(4,4,4-Trifluorobutyl)pyrrol-3-yl]methanol
CID 115515037

Frequently Asked Questions

What is the IUPAC name of [1-tri(propan-2-yl)silylpyrrol-3-yl]methanol?
The IUPAC name of [1-tri(propan-2-yl)silylpyrrol-3-yl]methanol (CID 14890920) is [1-tri(propan-2-yl)silylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-tri(propan-2-yl)silylpyrrol-3-yl]methanol?
The canonical SMILES for [1-tri(propan-2-yl)silylpyrrol-3-yl]methanol is CC(C)[Si](C(C)C)(C(C)C)n1ccc(CO)c1.
What is the InChIKey of [1-tri(propan-2-yl)silylpyrrol-3-yl]methanol?
The InChIKey is HVFHEULDQNKZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-11(2)17(12(3)4,13(5)6)15-8-7-14(9-15)10-16/h7-9,11-13,16H,10H2,1-6H3.
What are the key properties of [1-tri(propan-2-yl)silylpyrrol-3-yl]methanol?
[1-tri(propan-2-yl)silylpyrrol-3-yl]methanol has a molecular weight of 253.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tri(propan-2-yl)silylpyrrol-3-yl]methanol is sourced from PubChem (CID 14890920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).