acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate

C12H26O6 — CID 158088534

IUPACacetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
SMILESCC(=O)O.CCOCC.COCC(C)OC(C)=O
InChIInChI=1S/C6H12O3.C4H10O.C2H4O2/c1-5(4-8-3)9-6(2)7;1-3-5-4-2;1-2(3)4/h5H,4H2,1-3H3;3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyFNUQVLOXKHRASH-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.72
Rot. Bonds5

About acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate

acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate (PubChem CID 158088534) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate.

Molecular Properties

Compound Nameacetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
PubChem CID158088534
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Nameacetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
SMILESCC(=O)O.CCOCC.COCC(C)OC(C)=O
InChIInChI=1S/C6H12O3.C4H10O.C2H4O2/c1-5(4-8-3)9-6(2)7;1-3-5-4-2;1-2(3)4/h5H,4H2,1-3H3;3-4H2,1-2H3;1H3,(H,3,4)
InChIKeyFNUQVLOXKHRASH-UHFFFAOYSA-N
XLogP1.72
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze acetic acid;ethoxyethane;1-methoxypropan-2-yl 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

methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane
CID 158068416
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
1-methoxypropan-2-yl acetate;pentanoic acid
CID 175986355
2-acetyloxypropyl acetate;ethane-1,2-diol;ethoxyethane;methoxymethane
CID 173118871
1-methoxypropan-2-yl acetate;4-methylpentan-2-one
CID 155229582
dimethyl butanedioate;1-methoxypropan-2-yl acetate
CID 18699572
1-(3-methoxypropoxy)propan-2-yl acetate
CID 73357448
1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol
CID 174872279
1-methoxypropan-2-yl acetate;2-methoxypropyl acetate
CID 87233398
acetic acid;1-methoxy-2-propoxypropane
CID 159297729
acetic acid;butane-2,3-diol;ethoxyethane
CID 174725682

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate?
The IUPAC name of acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate (CID 158088534) is acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate.
What is the SMILES notation for acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate?
The canonical SMILES for acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate is CC(=O)O.CCOCC.COCC(C)OC(C)=O.
What is the InChIKey of acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate?
The InChIKey is FNUQVLOXKHRASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C4H10O.C2H4O2/c1-5(4-8-3)9-6(2)7;1-3-5-4-2;1-2(3)4/h5H,4H2,1-3H3;3-4H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate?
acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate has a molecular weight of 266.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate is sourced from PubChem (CID 158088534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).