5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid

C14H20O5Si — CID 173284211

IUPAC5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid
SMILESC[SiH](C)Oc1c(C(=O)O)cc(C(C)(C)C)cc1C(=O)O
InChIInChI=1S/C14H20O5Si/c1-14(2,3)8-6-9(12(15)16)11(19-20(4)5)10(7-8)13(17)18/h6-7,20H,1-5H3,(H,15,16)(H,17,18)
InChIKeyUPNLYUIPOFTDBA-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.74
Rot. Bonds4

About 5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid

5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid (PubChem CID 173284211) has the molecular formula C14H20O5Si and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid
PubChem CID173284211
Molecular FormulaC14H20O5Si
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid
SMILESC[SiH](C)Oc1c(C(=O)O)cc(C(C)(C)C)cc1C(=O)O
InChIInChI=1S/C14H20O5Si/c1-14(2,3)8-6-9(12(15)16)11(19-20(4)5)10(7-8)13(17)18/h6-7,20H,1-5H3,(H,15,16)(H,17,18)
InChIKeyUPNLYUIPOFTDBA-UHFFFAOYSA-N
XLogP2.74
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-3-hydroxy-2-methoxybenzoic acid
CID 117321870
2-acetyloxy-3,5-ditert-butylbenzoic acid
CID 15219417
3,5-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxybenzoyl)oxybenzoic acid
CID 175546183
5-tert-butyl-2-iodo-3-methoxycarbonylbenzoic acid
CID 154728027
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
5-tert-butylbenzene-1,3-dicarboxylic acid
CID 159495338
5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid
CID 117352931
chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)
CID 54696006
zinc bis(2,4-ditert-butyl-6-carboxyphenolate)
CID 54686148
4-tert-butyl-2-(4-carboxybenzoyl)benzoic acid
CID 919103
7-tert-butylnaphthalene-1-carboxylic acid
CID 130352675

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid?
The IUPAC name of 5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid (CID 173284211) is 5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid is C[SiH](C)Oc1c(C(=O)O)cc(C(C)(C)C)cc1C(=O)O.
What is the InChIKey of 5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid?
The InChIKey is UPNLYUIPOFTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5Si/c1-14(2,3)8-6-9(12(15)16)11(19-20(4)5)10(7-8)13(17)18/h6-7,20H,1-5H3,(H,15,16)(H,17,18).
What are the key properties of 5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid?
5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid has a molecular weight of 296.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-dimethylsilyloxybenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 173284211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).