methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate

C11H22O3Si — CID 14778628

IUPACmethyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate
SMILESCOC(=O)C1(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C11H22O3Si/c1-10(2,3)15(5,6)14-11(7-8-11)9(12)13-4/h7-8H2,1-6H3
InChIKeyQSIIYQGIMJQZNE-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.71
Rot. Bonds3

About methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate

methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate (PubChem CID 14778628) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate
PubChem CID14778628
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Namemethyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate
SMILESCOC(=O)C1(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C11H22O3Si/c1-10(2,3)15(5,6)14-11(7-8-11)9(12)13-4/h7-8H2,1-6H3
InChIKeyQSIIYQGIMJQZNE-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.71
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 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate (CID 14778628) is methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate is COC(=O)C1(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate?
The InChIKey is QSIIYQGIMJQZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-10(2,3)15(5,6)14-11(7-8-11)9(12)13-4/h7-8H2,1-6H3.
What are the key properties of methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate?
methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate has a molecular weight of 230.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[tert-butyl(dimethyl)silyl]oxycyclopropane-1-carboxylate is sourced from PubChem (CID 14778628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).