4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid

C14H21NO5Si — CID 167716868

IUPAC4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cc(N)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C14H21NO5Si/c1-14(2,3)21(4,5)20-11-7-10(15)8(12(16)17)6-9(11)13(18)19/h6-7H,15H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyMERLUFNXPKIEDK-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.05
Rot. Bonds4

About 4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid

4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid (PubChem CID 167716868) has the molecular formula C14H21NO5Si and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
PubChem CID167716868
Molecular FormulaC14H21NO5Si
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cc(N)c(C(=O)O)cc1C(=O)O
InChIInChI=1S/C14H21NO5Si/c1-14(2,3)21(4,5)20-11-7-10(15)8(12(16)17)6-9(11)13(18)19/h6-7H,15H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyMERLUFNXPKIEDK-UHFFFAOYSA-N
XLogP3.05
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoic acid
CID 167731636
2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid
CID 167723901
1-[2-[tert-butyl(dimethyl)silyl]oxy-4-chlorophenyl]ethanone
CID 167735081
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472
4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
CID 167739749
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
CID 167730897
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxybenzoic acid
CID 175152418
3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
CID 156632330
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide
CID 18942782
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
2-amino-4,5-bis(trideuteriomethoxy)benzoic acid
CID 59662843

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid?
The IUPAC name of 4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid (CID 167716868) is 4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid is CC(C)(C)[Si](C)(C)Oc1cc(N)c(C(=O)O)cc1C(=O)O.
What is the InChIKey of 4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid?
The InChIKey is MERLUFNXPKIEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5Si/c1-14(2,3)21(4,5)20-11-7-10(15)8(12(16)17)6-9(11)13(18)19/h6-7H,15H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid?
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 167716868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).