butyl 2-[2-(2-methylpropoxy)ethoxy]acetate

C12H24O4 — CID 106446661

IUPACbutyl 2-[2-(2-methylpropoxy)ethoxy]acetate
SMILESCCCCOC(=O)COCCOCC(C)C
InChIInChI=1S/C12H24O4/c1-4-5-6-16-12(13)10-15-8-7-14-9-11(2)3/h11H,4-10H2,1-3H3
InChIKeyOIAHLTWUXMINNJ-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.02
Rot. Bonds10

About butyl 2-[2-(2-methylpropoxy)ethoxy]acetate

butyl 2-[2-(2-methylpropoxy)ethoxy]acetate (PubChem CID 106446661) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is butyl 2-[2-(2-methylpropoxy)ethoxy]acetate.

Molecular Properties

Compound Namebutyl 2-[2-(2-methylpropoxy)ethoxy]acetate
PubChem CID106446661
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Namebutyl 2-[2-(2-methylpropoxy)ethoxy]acetate
SMILESCCCCOC(=O)COCCOCC(C)C
InChIInChI=1S/C12H24O4/c1-4-5-6-16-12(13)10-15-8-7-14-9-11(2)3/h11H,4-10H2,1-3H3
InChIKeyOIAHLTWUXMINNJ-UHFFFAOYSA-N
XLogP2.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.02
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-(2-methylpropoxy)ethoxy]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-propoxyethoxy)acetate
CID 63684669
nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate
CID 91693511
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
pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate
CID 121470032
nonyl 4-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]butanoate
CID 121469477
1-O-butyl 5-O-(2-methylpropyl) 3-methylpentanedioate
CID 139971649
heptyl 2-(2-methoxyethoxy)acetate
CID 18318708
3-[2-(3-methylbutoxy)acetyl]oxypropyl 2-(3-methylbutoxy)acetate
CID 174375629
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
ethyl 2-butoxyacetate
CID 14419651

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-(2-methylpropoxy)ethoxy]acetate?
The IUPAC name of butyl 2-[2-(2-methylpropoxy)ethoxy]acetate (CID 106446661) is butyl 2-[2-(2-methylpropoxy)ethoxy]acetate.
What is the SMILES notation for butyl 2-[2-(2-methylpropoxy)ethoxy]acetate?
The canonical SMILES for butyl 2-[2-(2-methylpropoxy)ethoxy]acetate is CCCCOC(=O)COCCOCC(C)C.
What is the InChIKey of butyl 2-[2-(2-methylpropoxy)ethoxy]acetate?
The InChIKey is OIAHLTWUXMINNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-5-6-16-12(13)10-15-8-7-14-9-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of butyl 2-[2-(2-methylpropoxy)ethoxy]acetate?
butyl 2-[2-(2-methylpropoxy)ethoxy]acetate has a molecular weight of 232.32 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(2-methylpropoxy)ethoxy]acetate is sourced from PubChem (CID 106446661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).