ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate

C13H24O4 — CID 79298364

IUPACethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate
SMILESCCOC(=O)C(O)(CC)C1CCOC(C)(C)C1
InChIInChI=1S/C13H24O4/c1-5-13(15,11(14)16-6-2)10-7-8-17-12(3,4)9-10/h10,15H,5-9H2,1-4H3
InChIKeyRTPDTGMEFADQIC-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.90
Rot. Bonds4

About ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate

ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate (PubChem CID 79298364) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate
PubChem CID79298364
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nameethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate
SMILESCCOC(=O)C(O)(CC)C1CCOC(C)(C)C1
InChIInChI=1S/C13H24O4/c1-5-13(15,11(14)16-6-2)10-7-8-17-12(3,4)9-10/h10,15H,5-9H2,1-4H3
InChIKeyRTPDTGMEFADQIC-UHFFFAOYSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate?
The IUPAC name of ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate (CID 79298364) is ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate.
What is the SMILES notation for ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate?
The canonical SMILES for ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate is CCOC(=O)C(O)(CC)C1CCOC(C)(C)C1.
What is the InChIKey of ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate?
The InChIKey is RTPDTGMEFADQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-13(15,11(14)16-6-2)10-7-8-17-12(3,4)9-10/h10,15H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate?
ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate has a molecular weight of 244.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethyloxan-4-yl)-2-hydroxybutanoate is sourced from PubChem (CID 79298364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).