[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate

C18H40O5Si2 — CID 155659391

IUPAC[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
SMILESCO[Si](CC(C)C(=O)O[Si](C(C)C)(C(C)(C)C)C(C)(C)C)(OC)OC
InChIInChI=1S/C18H40O5Si2/c1-14(2)25(17(4,5)6,18(7,8)9)23-16(19)15(3)13-24(20-10,21-11)22-12/h14-15H,13H2,1-12H3
InChIKeyZCWLTBHNFRYMEY-UHFFFAOYSA-N
MW392.69 g/mol
LogP5.00
Rot. Bonds8

About [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate

[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate (PubChem CID 155659391) has the molecular formula C18H40O5Si2 and a molecular weight of 392.69 g/mol. Its IUPAC name is [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate.

Molecular Properties

Compound Name[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
PubChem CID155659391
Molecular FormulaC18H40O5Si2
Molecular Weight392.69 g/mol
Exact Mass392.24
IUPAC Name[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
SMILESCO[Si](CC(C)C(=O)O[Si](C(C)C)(C(C)(C)C)C(C)(C)C)(OC)OC
InChIInChI=1S/C18H40O5Si2/c1-14(2)25(17(4,5)6,18(7,8)9)23-16(19)15(3)13-24(20-10,21-11)22-12/h14-15H,13H2,1-12H3
InChIKeyZCWLTBHNFRYMEY-UHFFFAOYSA-N
XLogP5.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.69
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate 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

[butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
CID 155659251
[ditert-butyl(cyclopentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659528
[methyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 151495490
methyl 3-[methoxy(dimethyl)silyl]-2-methylpropanoate
CID 58989046
[dibutyl(tert-butyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659186
[ditert-butyl(pentyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659210
2,3-dimethyl-4-trimethoxysilylbutan-2-amine
CID 89392385
1-trimethoxysilylpropan-2-yl carbamate
CID 175411103
1-trimethoxysilylpropan-2-yl 2-aminoacetate
CID 87438269
[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659456
tert-butyl 2-(3-trimethoxysilylpropylsulfanyl)propanoate
CID 142319380
[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659421

Frequently Asked Questions

What is the IUPAC name of [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate?
The IUPAC name of [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate (CID 155659391) is [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate.
What is the SMILES notation for [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate?
The canonical SMILES for [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate is CO[Si](CC(C)C(=O)O[Si](C(C)C)(C(C)(C)C)C(C)(C)C)(OC)OC.
What is the InChIKey of [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate?
The InChIKey is ZCWLTBHNFRYMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O5Si2/c1-14(2)25(17(4,5)6,18(7,8)9)23-16(19)15(3)13-24(20-10,21-11)22-12/h14-15H,13H2,1-12H3.
What are the key properties of [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate?
[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate has a molecular weight of 392.69 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate is sourced from PubChem (CID 155659391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).