ethyl 2-(3-methoxypropoxy)butanoate

C10H20O4 — CID 64661459

IUPACethyl 2-(3-methoxypropoxy)butanoate
SMILESCCOC(=O)C(CC)OCCCOC
InChIInChI=1S/C10H20O4/c1-4-9(10(11)13-5-2)14-8-6-7-12-3/h9H,4-8H2,1-3H3
InChIKeyHIOXRTTXHCFLLU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.38
Rot. Bonds8

About ethyl 2-(3-methoxypropoxy)butanoate

ethyl 2-(3-methoxypropoxy)butanoate (PubChem CID 64661459) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl 2-(3-methoxypropoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(3-methoxypropoxy)butanoate
PubChem CID64661459
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Nameethyl 2-(3-methoxypropoxy)butanoate
SMILESCCOC(=O)C(CC)OCCCOC
InChIInChI=1S/C10H20O4/c1-4-9(10(11)13-5-2)14-8-6-7-12-3/h9H,4-8H2,1-3H3
InChIKeyHIOXRTTXHCFLLU-UHFFFAOYSA-N
XLogP1.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(3-methoxypropoxy)butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxypropoxy)butanoate?
The IUPAC name of ethyl 2-(3-methoxypropoxy)butanoate (CID 64661459) is ethyl 2-(3-methoxypropoxy)butanoate.
What is the SMILES notation for ethyl 2-(3-methoxypropoxy)butanoate?
The canonical SMILES for ethyl 2-(3-methoxypropoxy)butanoate is CCOC(=O)C(CC)OCCCOC.
What is the InChIKey of ethyl 2-(3-methoxypropoxy)butanoate?
The InChIKey is HIOXRTTXHCFLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-9(10(11)13-5-2)14-8-6-7-12-3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(3-methoxypropoxy)butanoate?
ethyl 2-(3-methoxypropoxy)butanoate has a molecular weight of 204.27 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxypropoxy)butanoate is sourced from PubChem (CID 64661459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).