1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate

C11H20O3 — CID 59091427

IUPAC1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate
SMILES[3H]C(C)OC(=O)C1(CC)CCC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-5-11(9(12)13-6-2)8-7-10(3,4)14-11/h5-8H2,1-4H3/i6T
InChIKeyPOEPUMIKIRCDDA-NGIXYFTOSA-N
MW202.29 g/mol
LogP2.29
Rot. Bonds3

About 1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate

1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate (PubChem CID 59091427) has the molecular formula C11H20O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate.

Molecular Properties

Compound Name1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate
PubChem CID59091427
Molecular FormulaC11H20O3
Molecular Weight202.29 g/mol
Exact Mass202.15
IUPAC Name1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate
SMILES[3H]C(C)OC(=O)C1(CC)CCC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-5-11(9(12)13-6-2)8-7-10(3,4)14-11/h5-8H2,1-4H3/i6T
InChIKeyPOEPUMIKIRCDDA-NGIXYFTOSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate?
The IUPAC name of 1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate (CID 59091427) is 1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate.
What is the SMILES notation for 1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate?
The canonical SMILES for 1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate is [3H]C(C)OC(=O)C1(CC)CCC(C)(C)O1.
What is the InChIKey of 1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate?
The InChIKey is POEPUMIKIRCDDA-NGIXYFTOSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-11(9(12)13-6-2)8-7-10(3,4)14-11/h5-8H2,1-4H3/i6T.
What are the key properties of 1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate?
1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate has a molecular weight of 202.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritioethyl 2-ethyl-5,5-dimethyloxolane-2-carboxylate is sourced from PubChem (CID 59091427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).