2-butoxyethyl acetate;propyl acetate

C13H26O5 — CID 19764185

IUPAC2-butoxyethyl acetate;propyl acetate
SMILESCCCCOCCOC(C)=O.CCCOC(C)=O
InChIInChI=1S/C8H16O3.C5H10O2/c1-3-4-5-10-6-7-11-8(2)9;1-3-4-7-5(2)6/h3-7H2,1-2H3;3-4H2,1-2H3
InChIKeyHSWWTKDWLWBLSU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.33
Rot. Bonds8

About 2-butoxyethyl acetate;propyl acetate

2-butoxyethyl acetate;propyl acetate (PubChem CID 19764185) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-butoxyethyl acetate;propyl acetate.

Molecular Properties

Compound Name2-butoxyethyl acetate;propyl acetate
PubChem CID19764185
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name2-butoxyethyl acetate;propyl acetate
SMILESCCCCOCCOC(C)=O.CCCOC(C)=O
InChIInChI=1S/C8H16O3.C5H10O2/c1-3-4-5-10-6-7-11-8(2)9;1-3-4-7-5(2)6/h3-7H2,1-2H3;3-4H2,1-2H3
InChIKeyHSWWTKDWLWBLSU-UHFFFAOYSA-N
XLogP2.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-butoxyethyl acetate;propyl 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

2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
CID 90456855
2-(2-decoxyethoxy)ethyl acetate
CID 526732
potassium;hydride;2-tetradecoxyethyl acetate
CID 174815000
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
octane;propyl acetate
CID 174786724
2-butoxyethyl acetate;4-methylpentan-2-one
CID 157145416
2-acetyloxyethyl acetate;hexane
CID 137406148

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl acetate;propyl acetate?
The IUPAC name of 2-butoxyethyl acetate;propyl acetate (CID 19764185) is 2-butoxyethyl acetate;propyl acetate.
What is the SMILES notation for 2-butoxyethyl acetate;propyl acetate?
The canonical SMILES for 2-butoxyethyl acetate;propyl acetate is CCCCOCCOC(C)=O.CCCOC(C)=O.
What is the InChIKey of 2-butoxyethyl acetate;propyl acetate?
The InChIKey is HSWWTKDWLWBLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C5H10O2/c1-3-4-5-10-6-7-11-8(2)9;1-3-4-7-5(2)6/h3-7H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 2-butoxyethyl acetate;propyl acetate?
2-butoxyethyl acetate;propyl acetate has a molecular weight of 262.35 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl acetate;propyl acetate is sourced from PubChem (CID 19764185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).