[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol

C16H27NO2Si — CID 57368643

IUPAC[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol
SMILESCC(=Cc1cc(CO)ccn1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27NO2Si/c1-13(12-19-20(5,6)16(2,3)4)9-15-10-14(11-18)7-8-17-15/h7-10,18H,11-12H2,1-6H3
InChIKeyOBCAWSPEZJUFEI-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.00
Rot. Bonds5

About [2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol

[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol (PubChem CID 57368643) has the molecular formula C16H27NO2Si and a molecular weight of 293.48 g/mol. Its IUPAC name is [2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol
PubChem CID57368643
Molecular FormulaC16H27NO2Si
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol
SMILESCC(=Cc1cc(CO)ccn1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27NO2Si/c1-13(12-19-20(5,6)16(2,3)4)9-15-10-14(11-18)7-8-17-15/h7-10,18H,11-12H2,1-6H3
InChIKeyOBCAWSPEZJUFEI-UHFFFAOYSA-N
XLogP4.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol?
The IUPAC name of [2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol (CID 57368643) is [2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol is CC(=Cc1cc(CO)ccn1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol?
The InChIKey is OBCAWSPEZJUFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2Si/c1-13(12-19-20(5,6)16(2,3)4)9-15-10-14(11-18)7-8-17-15/h7-10,18H,11-12H2,1-6H3.
What are the key properties of [2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol?
[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol has a molecular weight of 293.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol is sourced from PubChem (CID 57368643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).