methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate

C12H24O3Si — CID 86711764

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate
SMILESCOC(=O)C(O[Si](C)(C)C(C)(C)C)C1CC1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10(9-7-8-9)11(13)14-4/h9-10H,7-8H2,1-6H3
InChIKeyAQTZGYBAICHNAX-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.96
Rot. Bonds4

About methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate

methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate (PubChem CID 86711764) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate
PubChem CID86711764
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate
SMILESCOC(=O)C(O[Si](C)(C)C(C)(C)C)C1CC1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10(9-7-8-9)11(13)14-4/h9-10H,7-8H2,1-6H3
InChIKeyAQTZGYBAICHNAX-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.96
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-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate (CID 86711764) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate is COC(=O)C(O[Si](C)(C)C(C)(C)C)C1CC1.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate?
The InChIKey is AQTZGYBAICHNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10(9-7-8-9)11(13)14-4/h9-10H,7-8H2,1-6H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate has a molecular weight of 244.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylacetate is sourced from PubChem (CID 86711764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).