tert-butyl 2,5-diethyloxolane-3-carboxylate

C13H24O3 — CID 21351651

IUPACtert-butyl 2,5-diethyloxolane-3-carboxylate
SMILESCCC1CC(C(=O)OC(C)(C)C)C(CC)O1
InChIInChI=1S/C13H24O3/c1-6-9-8-10(11(7-2)15-9)12(14)16-13(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyZCTCPCBRQMXERL-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.92
Rot. Bonds3

About tert-butyl 2,5-diethyloxolane-3-carboxylate

tert-butyl 2,5-diethyloxolane-3-carboxylate (PubChem CID 21351651) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is tert-butyl 2,5-diethyloxolane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,5-diethyloxolane-3-carboxylate
PubChem CID21351651
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nametert-butyl 2,5-diethyloxolane-3-carboxylate
SMILESCCC1CC(C(=O)OC(C)(C)C)C(CC)O1
InChIInChI=1S/C13H24O3/c1-6-9-8-10(11(7-2)15-9)12(14)16-13(3,4)5/h9-11H,6-8H2,1-5H3
InChIKeyZCTCPCBRQMXERL-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,5-diethyloxolane-3-carboxylate?
The IUPAC name of tert-butyl 2,5-diethyloxolane-3-carboxylate (CID 21351651) is tert-butyl 2,5-diethyloxolane-3-carboxylate.
What is the SMILES notation for tert-butyl 2,5-diethyloxolane-3-carboxylate?
The canonical SMILES for tert-butyl 2,5-diethyloxolane-3-carboxylate is CCC1CC(C(=O)OC(C)(C)C)C(CC)O1.
What is the InChIKey of tert-butyl 2,5-diethyloxolane-3-carboxylate?
The InChIKey is ZCTCPCBRQMXERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-6-9-8-10(11(7-2)15-9)12(14)16-13(3,4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2,5-diethyloxolane-3-carboxylate?
tert-butyl 2,5-diethyloxolane-3-carboxylate has a molecular weight of 228.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,5-diethyloxolane-3-carboxylate is sourced from PubChem (CID 21351651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).