[butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate

C17H38O5Si2 — CID 155659251

IUPAC[butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
SMILESCCC(C)[Si](OC(=O)C(C)C[Si](OC)(OC)OC)(C(C)C)C(C)C
InChIInChI=1S/C17H38O5Si2/c1-11-16(7)24(13(2)3,14(4)5)22-17(18)15(6)12-23(19-8,20-9)21-10/h13-16H,11-12H2,1-10H3
InChIKeyAPOMWRJFDZZUIS-UHFFFAOYSA-N
MW378.66 g/mol
LogP4.61
Rot. Bonds11

About [butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate

[butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate (PubChem CID 155659251) has the molecular formula C17H38O5Si2 and a molecular weight of 378.66 g/mol. Its IUPAC name is [butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate.

Molecular Properties

Compound Name[butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
PubChem CID155659251
Molecular FormulaC17H38O5Si2
Molecular Weight378.66 g/mol
Exact Mass378.23
IUPAC Name[butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
SMILESCCC(C)[Si](OC(=O)C(C)C[Si](OC)(OC)OC)(C(C)C)C(C)C
InChIInChI=1S/C17H38O5Si2/c1-11-16(7)24(13(2)3,14(4)5)22-17(18)15(6)12-23(19-8,20-9)21-10/h13-16H,11-12H2,1-10H3
InChIKeyAPOMWRJFDZZUIS-UHFFFAOYSA-N
XLogP4.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
CID 155659391
[butan-2-yl-bis(2-methylpropyl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659500
[methyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 151495490
tri(butan-2-yl)-tri(butan-2-yl)silyloxysilane
CID 90312866
1-trimethoxysilylpropan-2-yl carbamate
CID 175411103
[di(butan-2-yl)-tri(propan-2-yl)silyloxysilyl] prop-2-enoate
CID 87430711
[pentyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659456
tri(propan-2-yl)silyl 3-[3-[methoxy(dimethyl)silyl]propylamino]-2-methylpropanoate
CID 88852245
[hexyl-di(propan-2-yl)silyl] 2-methyl-3-triethoxysilylpropanoate
CID 155659421
8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907
[dimethoxy(trimethylsilyloxy)silyl]methyl 2-methylbutanoate
CID 59661320
1-trimethoxysilylpropan-2-yl 2-aminoacetate
CID 87438269

Frequently Asked Questions

What is the IUPAC name of [butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate?
The IUPAC name of [butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate (CID 155659251) is [butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate.
What is the SMILES notation for [butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate?
The canonical SMILES for [butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate is CCC(C)[Si](OC(=O)C(C)C[Si](OC)(OC)OC)(C(C)C)C(C)C.
What is the InChIKey of [butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate?
The InChIKey is APOMWRJFDZZUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O5Si2/c1-11-16(7)24(13(2)3,14(4)5)22-17(18)15(6)12-23(19-8,20-9)21-10/h13-16H,11-12H2,1-10H3.
What are the key properties of [butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate?
[butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate has a molecular weight of 378.66 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yl-di(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate is sourced from PubChem (CID 155659251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).