methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate

C12H24O3Si — CID 12647169

IUPACmethyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-11(2,3)12(15-16(5,6)7)8-9(12)10(13)14-4/h9H,8H2,1-7H3
InChIKeyMPBRWZMCOXZEAJ-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.82
Rot. Bonds3

About methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate

methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 12647169) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID12647169
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-11(2,3)12(15-16(5,6)7)8-9(12)10(13)14-4/h9H,8H2,1-7H3
InChIKeyMPBRWZMCOXZEAJ-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.82
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-2-trimethylsilyloxycyclopropane-1-carboxylate?
The IUPAC name of methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate (CID 12647169) is methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate is COC(=O)C1CC1(O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is MPBRWZMCOXZEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-11(2,3)12(15-16(5,6)7)8-9(12)10(13)14-4/h9H,8H2,1-7H3.
What are the key properties of methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate?
methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate has a molecular weight of 244.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butyl-2-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 12647169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).