2-butoxyethyl acetate

C8H16O3 — CID 8160

IUPAC2-butoxyethyl acetate
SMILESCCCCOCCOC(C)=O
InChIInChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
InChIKeyNQBXSWAWVZHKBZ-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.37
Rot. Bonds6

About 2-butoxyethyl acetate

2-butoxyethyl acetate (PubChem CID 8160) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-butoxyethyl acetate.

Molecular Properties

Compound Name2-butoxyethyl acetate
PubChem CID8160
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-butoxyethyl acetate
SMILESCCCCOCCOC(C)=O
InChIInChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
InChIKeyNQBXSWAWVZHKBZ-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butoxyethyl acetate 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 2-butoxyethyl acetate?
The IUPAC name of 2-butoxyethyl acetate (CID 8160) is 2-butoxyethyl acetate.
What is the SMILES notation for 2-butoxyethyl acetate?
The canonical SMILES for 2-butoxyethyl acetate is CCCCOCCOC(C)=O.
What is the InChIKey of 2-butoxyethyl acetate?
The InChIKey is NQBXSWAWVZHKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3.
What are the key properties of 2-butoxyethyl acetate?
2-butoxyethyl acetate has a molecular weight of 160.21 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl acetate is sourced from PubChem (CID 8160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).