butyl 2-(2-propoxyethoxy)acetate

C11H22O4 — CID 63684669

IUPACbutyl 2-(2-propoxyethoxy)acetate
SMILESCCCCOC(=O)COCCOCCC
InChIInChI=1S/C11H22O4/c1-3-5-7-15-11(12)10-14-9-8-13-6-4-2/h3-10H2,1-2H3
InChIKeyKHFXNWVYOCKPPV-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.77
Rot. Bonds10

About butyl 2-(2-propoxyethoxy)acetate

butyl 2-(2-propoxyethoxy)acetate (PubChem CID 63684669) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is butyl 2-(2-propoxyethoxy)acetate.

Molecular Properties

Compound Namebutyl 2-(2-propoxyethoxy)acetate
PubChem CID63684669
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Namebutyl 2-(2-propoxyethoxy)acetate
SMILESCCCCOC(=O)COCCOCCC
InChIInChI=1S/C11H22O4/c1-3-5-7-15-11(12)10-14-9-8-13-6-4-2/h3-10H2,1-2H3
InChIKeyKHFXNWVYOCKPPV-UHFFFAOYSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 2-(2-propoxyethoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703098
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
butyl 2-[2-(2-methylpropoxy)ethoxy]acetate
CID 106446661
heptyl 2-(2-methoxyethoxy)acetate
CID 18318708
hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
ethyl 2-butoxyacetate
CID 14419651
heptyl 2-(2-aminoethoxy)acetate
CID 79463419
methyl 2-(2-butoxyethoxy)acetate
CID 21093221
butyl 2-(2-phenoxyethoxy)acetate
CID 54941982

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-propoxyethoxy)acetate?
The IUPAC name of butyl 2-(2-propoxyethoxy)acetate (CID 63684669) is butyl 2-(2-propoxyethoxy)acetate.
What is the SMILES notation for butyl 2-(2-propoxyethoxy)acetate?
The canonical SMILES for butyl 2-(2-propoxyethoxy)acetate is CCCCOC(=O)COCCOCCC.
What is the InChIKey of butyl 2-(2-propoxyethoxy)acetate?
The InChIKey is KHFXNWVYOCKPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-5-7-15-11(12)10-14-9-8-13-6-4-2/h3-10H2,1-2H3.
What are the key properties of butyl 2-(2-propoxyethoxy)acetate?
butyl 2-(2-propoxyethoxy)acetate has a molecular weight of 218.29 g/mol, XLogP of 1.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-propoxyethoxy)acetate is sourced from PubChem (CID 63684669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).