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

C21H38O4Si2 — CID 631844

IUPAC[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate
SMILESCOc1cc(CC(=O)O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O4Si2/c1-20(2,3)26(8,9)24-17-13-12-16(14-18(17)23-7)15-19(22)25-27(10,11)21(4,5)6/h12-14H,15H2,1-11H3
InChIKeyFDHILQPZGKJPBA-UHFFFAOYSA-N
MW410.70 g/mol
LogP6.17
Rot. Bonds6

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

[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate (PubChem CID 631844) has the molecular formula C21H38O4Si2 and a molecular weight of 410.70 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate
PubChem CID631844
Molecular FormulaC21H38O4Si2
Molecular Weight410.70 g/mol
Exact Mass410.23
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate
SMILESCOc1cc(CC(=O)O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O4Si2/c1-20(2,3)26(8,9)24-17-13-12-16(14-18(17)23-7)15-19(22)25-27(10,11)21(4,5)6/h12-14H,15H2,1-11H3
InChIKeyFDHILQPZGKJPBA-UHFFFAOYSA-N
XLogP6.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate 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

CID 1738
CID 1738
CID 7139
CID 7139
CID 160562
CID 160562
CID 69896
CID 69896
CID 108965
CID 108965
CID 58114970
CID 58114970
CID 29981063
CID 29981063
CID 16522
CID 16522
CID 314929
CID 314929
CID 297964
CID 297964
CID 85213
CID 85213
CID 70372
CID 70372

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate (CID 631844) is [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate is COc1cc(CC(=O)O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate?
The InChIKey is FDHILQPZGKJPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O4Si2/c1-20(2,3)26(8,9)24-17-13-12-16(14-18(17)23-7)15-19(22)25-27(10,11)21(4,5)6/h12-14H,15H2,1-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate?
[tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate has a molecular weight of 410.70 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetate is sourced from PubChem (CID 631844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).