2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid

C27H31NO4Si — CID 91220929

IUPAC2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid
SMILESCC(C)(C)[Si](Oc1ccc(CC2(C(=O)O)CCCO2)nc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO4Si/c1-26(2,3)33(23-11-6-4-7-12-23,24-13-8-5-9-14-24)32-22-16-15-21(28-20-22)19-27(25(29)30)17-10-18-31-27/h4-9,11-16,20H,10,17-19H2,1-3H3,(H,29,30)
InChIKeyGIVRZMUEWFWYGB-UHFFFAOYSA-N
MW461.63 g/mol
LogP4.20
Rot. Bonds7

About 2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid

2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid (PubChem CID 91220929) has the molecular formula C27H31NO4Si and a molecular weight of 461.63 g/mol. Its IUPAC name is 2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid
PubChem CID91220929
Molecular FormulaC27H31NO4Si
Molecular Weight461.63 g/mol
Exact Mass461.20
IUPAC Name2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid
SMILESCC(C)(C)[Si](Oc1ccc(CC2(C(=O)O)CCCO2)nc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO4Si/c1-26(2,3)33(23-11-6-4-7-12-23,24-13-8-5-9-14-24)32-22-16-15-21(28-20-22)19-27(25(29)30)17-10-18-31-27/h4-9,11-16,20H,10,17-19H2,1-3H3,(H,29,30)
InChIKeyGIVRZMUEWFWYGB-UHFFFAOYSA-N
XLogP4.20
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
2-[[3-[(2R)-3-[4-(2-carboxypropan-2-yl)phenoxy]-2-hydroxypropoxy]phenyl]methyl]oxolane-2-carboxylic acid
CID 69285910
7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
CID 58438647
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
7-[tert-butyl(diphenyl)silyl]oxy-2-[(1-methylcyclohexyl)methyl]dibenzofuran-1,4-dione
CID 101342746
1-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]ethanamine
CID 68688965
(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one
CID 86757468
5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybenzamide
CID 177114927
cis-(1S,2S)-1-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]cyclopentane-1,2-diol
CID 20691703

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid (CID 91220929) is 2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid is CC(C)(C)[Si](Oc1ccc(CC2(C(=O)O)CCCO2)nc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid?
The InChIKey is GIVRZMUEWFWYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4Si/c1-26(2,3)33(23-11-6-4-7-12-23,24-13-8-5-9-14-24)32-22-16-15-21(28-20-22)19-27(25(29)30)17-10-18-31-27/h4-9,11-16,20H,10,17-19H2,1-3H3,(H,29,30).
What are the key properties of 2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid?
2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid has a molecular weight of 461.63 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[tert-butyl(diphenyl)silyl]oxy-2-pyridinyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 91220929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).