3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid

C17H28O5Si — CID 18443665

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid
SMILESCOc1cc(O[Si](C)(C)C(C)(C)C)ccc1CC(OC)C(=O)O
InChIInChI=1S/C17H28O5Si/c1-17(2,3)23(6,7)22-13-9-8-12(14(11-13)20-4)10-15(21-5)16(18)19/h8-9,11,15H,10H2,1-7H3,(H,18,19)
InChIKeyZFVCMXZUYBEMSQ-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.72
Rot. Bonds7

About 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid

3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid (PubChem CID 18443665) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid
PubChem CID18443665
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid
SMILESCOc1cc(O[Si](C)(C)C(C)(C)C)ccc1CC(OC)C(=O)O
InChIInChI=1S/C17H28O5Si/c1-17(2,3)23(6,7)22-13-9-8-12(14(11-13)20-4)10-15(21-5)16(18)19/h8-9,11,15H,10H2,1-7H3,(H,18,19)
InChIKeyZFVCMXZUYBEMSQ-UHFFFAOYSA-N
XLogP3.72
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.72
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

(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100545736
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
CID 154718984
3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid
CID 133241144
2-butoxy-3-(2,4-dimethoxyphenyl)propanoic acid
CID 133241148
(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545345
N-[3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]propyl]-2-oxopropanimidoyl chloride
CID 10762555
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119
[[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium
CID 154709445
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline
CID 167726664
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
(2S)-2-(3-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545329

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid (CID 18443665) is 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid is COc1cc(O[Si](C)(C)C(C)(C)C)ccc1CC(OC)C(=O)O.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid?
The InChIKey is ZFVCMXZUYBEMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O5Si/c1-17(2,3)23(6,7)22-13-9-8-12(14(11-13)20-4)10-15(21-5)16(18)19/h8-9,11,15H,10H2,1-7H3,(H,18,19).
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid?
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid has a molecular weight of 340.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-2-methoxypropanoic acid is sourced from PubChem (CID 18443665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).