methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate

C16H26O4Si — CID 58377303

IUPACmethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
SMILESCOC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C16H26O4Si/c1-16(2,3)21(6,7)20-11-12-8-13(15(17)19-5)10-14(9-12)18-4/h8-10H,11H2,1-7H3
InChIKeyZRTQDCGSHKUNDE-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.00
Rot. Bonds5

About methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate

methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate (PubChem CID 58377303) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
PubChem CID58377303
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namemethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
SMILESCOC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C16H26O4Si/c1-16(2,3)21(6,7)20-11-12-8-13(15(17)19-5)10-14(9-12)18-4/h8-10H,11H2,1-7H3
InChIKeyZRTQDCGSHKUNDE-UHFFFAOYSA-N
XLogP4.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 5-[[3-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]benzene-1,3-dicarboxylate
CID 10963330
methyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylphenoxy]acetate
CID 165005191
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,5-dimethoxybenzamide
CID 134957452
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-methoxyphenyl]methylcarbamic acid
CID 68909307
dimethyl 5-[[3-[[3,5-bis[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate
CID 23245644
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanone
CID 171363881
methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate
CID 58710604
tert-butyl N-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethyl)phenoxy]ethyl]carbamate
CID 147259528
methyl 4-[2-[3-[2-(3,5-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869617
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888
bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate
CID 10325443

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate?
The IUPAC name of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate (CID 58377303) is methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate.
What is the SMILES notation for methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate?
The canonical SMILES for methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate is COC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)cc(OC)c1.
What is the InChIKey of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate?
The InChIKey is ZRTQDCGSHKUNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-16(2,3)21(6,7)20-11-12-8-13(15(17)19-5)10-14(9-12)18-4/h8-10H,11H2,1-7H3.
What are the key properties of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate?
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate has a molecular weight of 310.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate is sourced from PubChem (CID 58377303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).