3-ethoxypropyl acetate

C7H14O3 — CID 14847874

IUPAC3-ethoxypropyl acetate
SMILESCCOCCCOC(C)=O
InChIInChI=1S/C7H14O3/c1-3-9-5-4-6-10-7(2)8/h3-6H2,1-2H3
InChIKeyVXKUOGVOWWPRNM-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.98
Rot. Bonds5

About 3-ethoxypropyl acetate

3-ethoxypropyl acetate (PubChem CID 14847874) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-ethoxypropyl acetate.

Molecular Properties

Compound Name3-ethoxypropyl acetate
PubChem CID14847874
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-ethoxypropyl acetate
SMILESCCOCCCOC(C)=O
InChIInChI=1S/C7H14O3/c1-3-9-5-4-6-10-7(2)8/h3-6H2,1-2H3
InChIKeyVXKUOGVOWWPRNM-UHFFFAOYSA-N
XLogP0.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.98
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

6-ethoxyhexyl acetate
CID 123617931
butyl acetate;2-ethoxyethanol
CID 87069038
2-acetyloxyethyl 4-ethoxybutanoate
CID 23405564
3-octoxypropyl acetate
CID 21272964
bis(3-ethoxypropyl) butanedioate
CID 101278689
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
bis(3-ethoxypropyl) 2-methylpropanedioate
CID 101278684
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
11-acetyloxyundecyl acetate
CID 87784419
3-ethoxypropyl 2,2-difluoroacetate
CID 88537747
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl acetate?
The IUPAC name of 3-ethoxypropyl acetate (CID 14847874) is 3-ethoxypropyl acetate.
What is the SMILES notation for 3-ethoxypropyl acetate?
The canonical SMILES for 3-ethoxypropyl acetate is CCOCCCOC(C)=O.
What is the InChIKey of 3-ethoxypropyl acetate?
The InChIKey is VXKUOGVOWWPRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-9-5-4-6-10-7(2)8/h3-6H2,1-2H3.
What are the key properties of 3-ethoxypropyl acetate?
3-ethoxypropyl acetate has a molecular weight of 146.19 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropyl acetate is sourced from PubChem (CID 14847874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).