2-pentoxyethyl 2-hydroxybutanoate

C11H22O4 — CID 71455450

IUPAC2-pentoxyethyl 2-hydroxybutanoate
SMILESCCCCCOCCOC(=O)C(O)CC
InChIInChI=1S/C11H22O4/c1-3-5-6-7-14-8-9-15-11(13)10(12)4-2/h10,12H,3-9H2,1-2H3
InChIKeyAYPLKYRIVPCILB-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.51
Rot. Bonds9

About 2-pentoxyethyl 2-hydroxybutanoate

2-pentoxyethyl 2-hydroxybutanoate (PubChem CID 71455450) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-pentoxyethyl 2-hydroxybutanoate.

Molecular Properties

Compound Name2-pentoxyethyl 2-hydroxybutanoate
PubChem CID71455450
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-pentoxyethyl 2-hydroxybutanoate
SMILESCCCCCOCCOC(=O)C(O)CC
InChIInChI=1S/C11H22O4/c1-3-5-6-7-14-8-9-15-11(13)10(12)4-2/h10,12H,3-9H2,1-2H3
InChIKeyAYPLKYRIVPCILB-UHFFFAOYSA-N
XLogP1.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentoxyethyl 2-hydroxybutanoate?
The IUPAC name of 2-pentoxyethyl 2-hydroxybutanoate (CID 71455450) is 2-pentoxyethyl 2-hydroxybutanoate.
What is the SMILES notation for 2-pentoxyethyl 2-hydroxybutanoate?
The canonical SMILES for 2-pentoxyethyl 2-hydroxybutanoate is CCCCCOCCOC(=O)C(O)CC.
What is the InChIKey of 2-pentoxyethyl 2-hydroxybutanoate?
The InChIKey is AYPLKYRIVPCILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-5-6-7-14-8-9-15-11(13)10(12)4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-pentoxyethyl 2-hydroxybutanoate?
2-pentoxyethyl 2-hydroxybutanoate has a molecular weight of 218.29 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxyethyl 2-hydroxybutanoate is sourced from PubChem (CID 71455450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).