ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate

C14H26O4 — CID 79298690

IUPACethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate
SMILESCCOC(=O)C(O)(CC)C1CCOC(C)(CC)C1
InChIInChI=1S/C14H26O4/c1-5-13(4)10-11(8-9-18-13)14(16,6-2)12(15)17-7-3/h11,16H,5-10H2,1-4H3
InChIKeyZTLFERUGFKZEAZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.29
Rot. Bonds5

About ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate

ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate (PubChem CID 79298690) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate
PubChem CID79298690
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Nameethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate
SMILESCCOC(=O)C(O)(CC)C1CCOC(C)(CC)C1
InChIInChI=1S/C14H26O4/c1-5-13(4)10-11(8-9-18-13)14(16,6-2)12(15)17-7-3/h11,16H,5-10H2,1-4H3
InChIKeyZTLFERUGFKZEAZ-UHFFFAOYSA-N
XLogP2.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate?
The IUPAC name of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate (CID 79298690) is ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate.
What is the SMILES notation for ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate?
The canonical SMILES for ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate is CCOC(=O)C(O)(CC)C1CCOC(C)(CC)C1.
What is the InChIKey of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate?
The InChIKey is ZTLFERUGFKZEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-5-13(4)10-11(8-9-18-13)14(16,6-2)12(15)17-7-3/h11,16H,5-10H2,1-4H3.
What are the key properties of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate?
ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate has a molecular weight of 258.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxybutanoate is sourced from PubChem (CID 79298690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).