methyl 2-tri(propan-2-yl)silyloxyacetate

C12H26O3Si — CID 10377278

IUPACmethyl 2-tri(propan-2-yl)silyloxyacetate
SMILESCOC(=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H26O3Si/c1-9(2)16(10(3)4,11(5)6)15-8-12(13)14-7/h9-11H,8H2,1-7H3
InChIKeyJIYVKGMCROZSKA-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.35
Rot. Bonds6

About methyl 2-tri(propan-2-yl)silyloxyacetate

methyl 2-tri(propan-2-yl)silyloxyacetate (PubChem CID 10377278) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is methyl 2-tri(propan-2-yl)silyloxyacetate.

Molecular Properties

Compound Namemethyl 2-tri(propan-2-yl)silyloxyacetate
PubChem CID10377278
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namemethyl 2-tri(propan-2-yl)silyloxyacetate
SMILESCOC(=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H26O3Si/c1-9(2)16(10(3)4,11(5)6)15-8-12(13)14-7/h9-11H,8H2,1-7H3
InChIKeyJIYVKGMCROZSKA-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-tri(propan-2-yl)silyloxyacetate?
The IUPAC name of methyl 2-tri(propan-2-yl)silyloxyacetate (CID 10377278) is methyl 2-tri(propan-2-yl)silyloxyacetate.
What is the SMILES notation for methyl 2-tri(propan-2-yl)silyloxyacetate?
The canonical SMILES for methyl 2-tri(propan-2-yl)silyloxyacetate is COC(=O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl 2-tri(propan-2-yl)silyloxyacetate?
The InChIKey is JIYVKGMCROZSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9(2)16(10(3)4,11(5)6)15-8-12(13)14-7/h9-11H,8H2,1-7H3.
What are the key properties of methyl 2-tri(propan-2-yl)silyloxyacetate?
methyl 2-tri(propan-2-yl)silyloxyacetate has a molecular weight of 246.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tri(propan-2-yl)silyloxyacetate is sourced from PubChem (CID 10377278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).