1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate

C13H24O4 — CID 23522006

IUPAC1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate
SMILESCCOC(C)OC(=O)C1CC(CC)OC1CC
InChIInChI=1S/C13H24O4/c1-5-10-8-11(12(6-2)17-10)13(14)16-9(4)15-7-3/h9-12H,5-8H2,1-4H3
InChIKeyPXFRBTQIXSVYCM-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.51
Rot. Bonds6

About 1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate

1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate (PubChem CID 23522006) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate
PubChem CID23522006
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate
SMILESCCOC(C)OC(=O)C1CC(CC)OC1CC
InChIInChI=1S/C13H24O4/c1-5-10-8-11(12(6-2)17-10)13(14)16-9(4)15-7-3/h9-12H,5-8H2,1-4H3
InChIKeyPXFRBTQIXSVYCM-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.51
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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Related Compounds

methyl (2S,3S,5R)-5-methoxy-2,5-dimethyloxolane-3-carboxylate
CID 134900732
(2-Ethyl-2-methyl-1,3 dioxolan-4-yl) methyl hexanoate
CID 154573569
7-(3,3-Dibutoxyoxolan-2-yl)-2-methyl-1,5-dioxacycloundecane-6,11-dione
CID 18956644
1-Ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate
CID 21351439
Dimethyl 2,5-diethyloxolane-3,4-dicarboxylate
CID 21351633
Methyl 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylate
CID 21351640
Tert-butyl 2,5-diethyloxolane-3-carboxylate
CID 21351651
3-O-tert-butyl 4-O-methyl 2,5-diethyloxolane-3,4-dicarboxylate
CID 21351654
Oxan-2-yl 2,5-diethyl-3-methyloxolane-3-carboxylate
CID 21351657
2,5-Diethyl-2,5-dimethoxyoxolane-3-carbaldehyde
CID 21667205
Oxan-2-yl 2,5-diethyloxolane-3-carboxylate
CID 23522022
2,2-Dimethylpropoxymethyl 2,5-diethyl-4-methyloxolane-3-carboxylate
CID 57783331

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate?
The IUPAC name of 1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate (CID 23522006) is 1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate?
The canonical SMILES for 1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate is CCOC(C)OC(=O)C1CC(CC)OC1CC.
What is the InChIKey of 1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate?
The InChIKey is PXFRBTQIXSVYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-10-8-11(12(6-2)17-10)13(14)16-9(4)15-7-3/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate?
1-ethoxyethyl 2,5-diethyloxolane-3-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 2.51, 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-diethyloxolane-3-carboxylate is sourced from PubChem (CID 23522006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).