ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate

C15H28O4 — CID 79934291

IUPACethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate
SMILESCCOC(=O)C(C(C)C)C1(O)CC(C)(C)OC1(C)C
InChIInChI=1S/C15H28O4/c1-8-18-12(16)11(10(2)3)15(17)9-13(4,5)19-14(15,6)7/h10-11,17H,8-9H2,1-7H3
InChIKeyLELKOZPUMMPQES-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.53
Rot. Bonds4

About ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate

ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate (PubChem CID 79934291) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate
PubChem CID79934291
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Nameethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate
SMILESCCOC(=O)C(C(C)C)C1(O)CC(C)(C)OC1(C)C
InChIInChI=1S/C15H28O4/c1-8-18-12(16)11(10(2)3)15(17)9-13(4,5)19-14(15,6)7/h10-11,17H,8-9H2,1-7H3
InChIKeyLELKOZPUMMPQES-UHFFFAOYSA-N
XLogP2.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate?
The IUPAC name of ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate (CID 79934291) is ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate?
The canonical SMILES for ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate is CCOC(=O)C(C(C)C)C1(O)CC(C)(C)OC1(C)C.
What is the InChIKey of ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate?
The InChIKey is LELKOZPUMMPQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-8-18-12(16)11(10(2)3)15(17)9-13(4,5)19-14(15,6)7/h10-11,17H,8-9H2,1-7H3.
What are the key properties of ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate?
ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate has a molecular weight of 272.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)-3-methylbutanoate is sourced from PubChem (CID 79934291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).