ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate

C11H20O2 — CID 558573

IUPACethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(C)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-6-13-9(12)8-7-11(8,5)10(2,3)4/h8H,6-7H2,1-5H3
InChIKeyIHKUIEUVOWMHDV-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.62
Rot. Bonds2

About ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate

ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate (PubChem CID 558573) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate
PubChem CID558573
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(C)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-6-13-9(12)8-7-11(8,5)10(2,3)4/h8H,6-7H2,1-5H3
InChIKeyIHKUIEUVOWMHDV-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate (CID 558573) is ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate is CCOC(=O)C1CC1(C)C(C)(C)C.
What is the InChIKey of ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate?
The InChIKey is IHKUIEUVOWMHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-13-9(12)8-7-11(8,5)10(2,3)4/h8H,6-7H2,1-5H3.
What are the key properties of ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate?
ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate has a molecular weight of 184.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butyl-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 558573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).