2-(2-ethoxyethoxy)pentyl acetate

C11H22O4 — CID 87309415

IUPAC2-(2-ethoxyethoxy)pentyl acetate
SMILESCCCC(COC(C)=O)OCCOCC
InChIInChI=1S/C11H22O4/c1-4-6-11(9-15-10(3)12)14-8-7-13-5-2/h11H,4-9H2,1-3H3
InChIKeySYOUNEZDXSNDFW-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.77
Rot. Bonds9

About 2-(2-ethoxyethoxy)pentyl acetate

2-(2-ethoxyethoxy)pentyl acetate (PubChem CID 87309415) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)pentyl acetate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)pentyl acetate
PubChem CID87309415
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-(2-ethoxyethoxy)pentyl acetate
SMILESCCCC(COC(C)=O)OCCOCC
InChIInChI=1S/C11H22O4/c1-4-6-11(9-15-10(3)12)14-8-7-13-5-2/h11H,4-9H2,1-3H3
InChIKeySYOUNEZDXSNDFW-UHFFFAOYSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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'}

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Related Compounds

[3-propoxy-2-(2-propoxyethoxy)propyl] acetate
CID 162455221
2-(2-ethoxyethoxy)heptyl hydrogen carbonate
CID 139923312
bis[2-(2-ethoxyethoxy)octyl] carbonate
CID 87841193
[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923284
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
2-ethoxypentyl hydrogen carbonate
CID 139923190
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2,3-dipropoxypropyl acetate;ethylphosphane;methane
CID 158965859
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate
CID 176791214
2-[2-(2-acetyloxyethoxy)-3-hydroxypropoxy]ethyl acetate
CID 176616060

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)pentyl acetate?
The IUPAC name of 2-(2-ethoxyethoxy)pentyl acetate (CID 87309415) is 2-(2-ethoxyethoxy)pentyl acetate.
What is the SMILES notation for 2-(2-ethoxyethoxy)pentyl acetate?
The canonical SMILES for 2-(2-ethoxyethoxy)pentyl acetate is CCCC(COC(C)=O)OCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)pentyl acetate?
The InChIKey is SYOUNEZDXSNDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-6-11(9-15-10(3)12)14-8-7-13-5-2/h11H,4-9H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)pentyl acetate?
2-(2-ethoxyethoxy)pentyl acetate has a molecular weight of 218.29 g/mol, XLogP of 1.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)pentyl acetate is sourced from PubChem (CID 87309415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).