ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate

C13H22O4 — CID 15450926

IUPACethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CCOC1CCCCO1
InChIInChI=1S/C13H22O4/c1-2-15-13(14)11-9-10(11)6-8-17-12-5-3-4-7-16-12/h10-12H,2-9H2,1H3
InChIKeyLEKXNVLWEZGNAN-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.12
Rot. Bonds6

About ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate

ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate (PubChem CID 15450926) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate
PubChem CID15450926
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Nameethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CCOC1CCCCO1
InChIInChI=1S/C13H22O4/c1-2-15-13(14)11-9-10(11)6-8-17-12-5-3-4-7-16-12/h10-12H,2-9H2,1H3
InChIKeyLEKXNVLWEZGNAN-UHFFFAOYSA-N
XLogP2.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate (CID 15450926) is ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CCOC1CCCCO1.
What is the InChIKey of ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate?
The InChIKey is LEKXNVLWEZGNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-2-15-13(14)11-9-10(11)6-8-17-12-5-3-4-7-16-12/h10-12H,2-9H2,1H3.
What are the key properties of ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate?
ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate has a molecular weight of 242.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(oxan-2-yloxy)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 15450926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).