1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate

C14H26O4 — CID 21351439

IUPAC1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate
SMILESCCOC(C)OC(=O)C1C(CC)OC(CC)C1C
InChIInChI=1S/C14H26O4/c1-6-11-9(4)13(12(7-2)18-11)14(15)17-10(5)16-8-3/h9-13H,6-8H2,1-5H3
InChIKeyOKUYHIJWEZXISN-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.75
Rot. Bonds6

About 1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate

1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate (PubChem CID 21351439) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate
PubChem CID21351439
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate
SMILESCCOC(C)OC(=O)C1C(CC)OC(CC)C1C
InChIInChI=1S/C14H26O4/c1-6-11-9(4)13(12(7-2)18-11)14(15)17-10(5)16-8-3/h9-13H,6-8H2,1-5H3
InChIKeyOKUYHIJWEZXISN-UHFFFAOYSA-N
XLogP2.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate?
The IUPAC name of 1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate (CID 21351439) is 1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate?
The canonical SMILES for 1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate is CCOC(C)OC(=O)C1C(CC)OC(CC)C1C.
What is the InChIKey of 1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate?
The InChIKey is OKUYHIJWEZXISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-6-11-9(4)13(12(7-2)18-11)14(15)17-10(5)16-8-3/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate?
1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate is sourced from PubChem (CID 21351439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).