6-ethoxyhexyl acetate

C10H20O3 — CID 123617931

IUPAC6-ethoxyhexyl acetate
SMILESCCOCCCCCCOC(C)=O
InChIInChI=1S/C10H20O3/c1-3-12-8-6-4-5-7-9-13-10(2)11/h3-9H2,1-2H3
InChIKeyAVEQOGRBIKSGFM-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.15
Rot. Bonds8

About 6-ethoxyhexyl acetate

6-ethoxyhexyl acetate (PubChem CID 123617931) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-ethoxyhexyl acetate.

Molecular Properties

Compound Name6-ethoxyhexyl acetate
PubChem CID123617931
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name6-ethoxyhexyl acetate
SMILESCCOCCCCCCOC(C)=O
InChIInChI=1S/C10H20O3/c1-3-12-8-6-4-5-7-9-13-10(2)11/h3-9H2,1-2H3
InChIKeyAVEQOGRBIKSGFM-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxypropyl acetate
CID 14847874
11-acetyloxyundecyl acetate
CID 87784419
3-octoxypropyl acetate
CID 21272964
dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane
CID 173341156
decyl acetate;ethyl acetate
CID 158679657
butyl acetate;2-ethoxyethanol
CID 87069038
2-acetyloxyethyl 4-ethoxybutanoate
CID 23405564
alumane;hexyl acetate
CID 174832794
CID 162323537
CID 162323537
azane;tetradecyl acetate
CID 87432458
2-(2-decoxyethoxy)ethyl acetate
CID 526732
magnesium;hydride;nonyl acetate
CID 174803218

Frequently Asked Questions

What is the IUPAC name of 6-ethoxyhexyl acetate?
The IUPAC name of 6-ethoxyhexyl acetate (CID 123617931) is 6-ethoxyhexyl acetate.
What is the SMILES notation for 6-ethoxyhexyl acetate?
The canonical SMILES for 6-ethoxyhexyl acetate is CCOCCCCCCOC(C)=O.
What is the InChIKey of 6-ethoxyhexyl acetate?
The InChIKey is AVEQOGRBIKSGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-12-8-6-4-5-7-9-13-10(2)11/h3-9H2,1-2H3.
What are the key properties of 6-ethoxyhexyl acetate?
6-ethoxyhexyl acetate has a molecular weight of 188.27 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxyhexyl acetate is sourced from PubChem (CID 123617931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).