1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane

C13H28O6 — CID 158068416

IUPAC1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane
SMILESCCOCC(C)OC(C)=O.COCCOCCOC
InChIInChI=1S/C7H14O3.C6H14O3/c1-4-9-5-6(2)10-7(3)8;1-7-3-5-9-6-4-8-2/h6H,4-5H2,1-3H3;3-6H2,1-2H3
InChIKeyFLNCGTCHUOSODR-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.27
Rot. Bonds10

About 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane

1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane (PubChem CID 158068416) has the molecular formula C13H28O6 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane.

Molecular Properties

Compound Name1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane
PubChem CID158068416
Molecular FormulaC13H28O6
Molecular Weight280.36 g/mol
Exact Mass280.19
IUPAC Name1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane
SMILESCCOCC(C)OC(C)=O.COCCOCCOC
InChIInChI=1S/C7H14O3.C6H14O3/c1-4-9-5-6(2)10-7(3)8;1-7-3-5-9-6-4-8-2/h6H,4-5H2,1-3H3;3-6H2,1-2H3
InChIKeyFLNCGTCHUOSODR-UHFFFAOYSA-N
XLogP1.27
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane 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

acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
CID 158088534
methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
1-(3-methoxypropoxy)propan-2-yl acetate
CID 73357448
1-(iodomethoxy)propan-2-yl acetate
CID 138608644
1-ethoxypropan-2-yl acetate;2-ethoxypropyl acetate;methane
CID 161069991
1-ethoxypropan-2-yl 2-(2-methoxyethylamino)acetate
CID 103488949
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
1-pentoxypropan-2-yl acetate
CID 87356806
2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane
CID 173118871
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane
CID 158715782

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane?
The IUPAC name of 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane (CID 158068416) is 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane.
What is the SMILES notation for 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane?
The canonical SMILES for 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane is CCOCC(C)OC(C)=O.COCCOCCOC.
What is the InChIKey of 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane?
The InChIKey is FLNCGTCHUOSODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C6H14O3/c1-4-9-5-6(2)10-7(3)8;1-7-3-5-9-6-4-8-2/h6H,4-5H2,1-3H3;3-6H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane?
1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane has a molecular weight of 280.36 g/mol, XLogP of 1.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane is sourced from PubChem (CID 158068416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).