2-ethoxyethyl 2-methylcyclopropane-1-carboxylate

C9H16O3 — CID 11229056

IUPAC2-ethoxyethyl 2-methylcyclopropane-1-carboxylate
SMILESCCOCCOC(=O)C1CC1C
InChIInChI=1S/C9H16O3/c1-3-11-4-5-12-9(10)8-6-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyPPOQEYOJAKMDBV-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.22
Rot. Bonds5

About 2-ethoxyethyl 2-methylcyclopropane-1-carboxylate

2-ethoxyethyl 2-methylcyclopropane-1-carboxylate (PubChem CID 11229056) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-ethoxyethyl 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 2-methylcyclopropane-1-carboxylate
PubChem CID11229056
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-ethoxyethyl 2-methylcyclopropane-1-carboxylate
SMILESCCOCCOC(=O)C1CC1C
InChIInChI=1S/C9H16O3/c1-3-11-4-5-12-9(10)8-6-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyPPOQEYOJAKMDBV-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-methylcyclopropane-1-carboxylate?
The IUPAC name of 2-ethoxyethyl 2-methylcyclopropane-1-carboxylate (CID 11229056) is 2-ethoxyethyl 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for 2-ethoxyethyl 2-methylcyclopropane-1-carboxylate is CCOCCOC(=O)C1CC1C.
What is the InChIKey of 2-ethoxyethyl 2-methylcyclopropane-1-carboxylate?
The InChIKey is PPOQEYOJAKMDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-11-4-5-12-9(10)8-6-7(8)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-methylcyclopropane-1-carboxylate?
2-ethoxyethyl 2-methylcyclopropane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 11229056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).