methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate

C26H48O4Si2 — CID 13134332

IUPACmethyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate
SMILESCOC(=O)c1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C26H48O4Si2/c1-17(2)31(18(3)4,19(5)6)29-24-14-23(26(27)28-13)15-25(16-24)30-32(20(7)8,21(9)10)22(11)12/h14-22H,1-13H3
InChIKeyCGYZDADVUQGXNQ-UHFFFAOYSA-N
MW480.84 g/mol
LogP8.58
Rot. Bonds11

About methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate

methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate (PubChem CID 13134332) has the molecular formula C26H48O4Si2 and a molecular weight of 480.84 g/mol. Its IUPAC name is methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate.

Molecular Properties

Compound Namemethyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate
PubChem CID13134332
Molecular FormulaC26H48O4Si2
Molecular Weight480.84 g/mol
Exact Mass480.31
IUPAC Namemethyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate
SMILESCOC(=O)c1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C26H48O4Si2/c1-17(2)31(18(3)4,19(5)6)29-24-14-23(26(27)28-13)15-25(16-24)30-32(20(7)8,21(9)10)22(11)12/h14-22H,1-13H3
InChIKeyCGYZDADVUQGXNQ-UHFFFAOYSA-N
XLogP8.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.84
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate 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

methyl 3-hydroxy-5-[2-tri(propan-2-yl)silyloxypropan-2-yloxy]benzoate
CID 67486352
methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate
CID 11396381
methyl 3,5-diacetyloxybenzoate
CID 7474700
methyl 3-acetyloxy-5-propan-2-yloxybenzoate
CID 174646225
methyl 4-nitro-3-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]benzoate
CID 158748331
methyl 3,5-bis(2-fluoroethoxy)benzoate
CID 86609559
methyl 3,5-bis(2-chloroethoxy)benzoate
CID 100923076
methyl 3,4,5-tri(propan-2-yl)benzoate
CID 166806924
methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate
CID 174658028
methyl 3,5-bis(prop-2-ynoxy)benzoate
CID 3566176
dimethyl 5-[2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 57387038
dimethyl 5-ethenoxybenzene-1,3-dicarboxylate
CID 130409792

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate?
The IUPAC name of methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate (CID 13134332) is methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate.
What is the SMILES notation for methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate?
The canonical SMILES for methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate is COC(=O)c1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate?
The InChIKey is CGYZDADVUQGXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O4Si2/c1-17(2)31(18(3)4,19(5)6)29-24-14-23(26(27)28-13)15-25(16-24)30-32(20(7)8,21(9)10)22(11)12/h14-22H,1-13H3.
What are the key properties of methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate?
methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate has a molecular weight of 480.84 g/mol, XLogP of 8.58, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate is sourced from PubChem (CID 13134332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).