methoxyethane;1-methoxypropan-2-yl acetate

C9H20O4 — CID 174926561

IUPACmethoxyethane;1-methoxypropan-2-yl acetate
SMILESCCOC.COCC(C)OC(C)=O
InChIInChI=1S/C6H12O3.C3H8O/c1-5(4-8-3)9-6(2)7;1-3-4-2/h5H,4H2,1-3H3;3H2,1-2H3
InChIKeyOBUSECRTQKCVAW-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.24
Rot. Bonds4

About methoxyethane;1-methoxypropan-2-yl acetate

methoxyethane;1-methoxypropan-2-yl acetate (PubChem CID 174926561) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is methoxyethane;1-methoxypropan-2-yl acetate.

Molecular Properties

Compound Namemethoxyethane;1-methoxypropan-2-yl acetate
PubChem CID174926561
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Namemethoxyethane;1-methoxypropan-2-yl acetate
SMILESCCOC.COCC(C)OC(C)=O
InChIInChI=1S/C6H12O3.C3H8O/c1-5(4-8-3)9-6(2)7;1-3-4-2/h5H,4H2,1-3H3;3H2,1-2H3
InChIKeyOBUSECRTQKCVAW-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methoxyethane;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

acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
CID 158088534
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane
CID 158068416
1-methoxypropan-2-yl acetate;4-methylpentan-2-one
CID 155229582
dimethyl butanedioate;1-methoxypropan-2-yl acetate
CID 18699572
1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol
CID 174872279
1-methoxypropan-2-yl acetate;2-methoxypropyl acetate
CID 87233398
1-methoxypropan-2-yl acetate;pentanoic acid
CID 175986355
1-(3-methoxypropoxy)propan-2-yl acetate
CID 73357448
1-methoxypropan-2-yl 2-ethoxypropanoate
CID 88537715
2-acetyloxypropyl acetate;propan-2-one
CID 159489239
(4-acetyloxy-1-methoxypentan-2-yl) propanoate
CID 173082808

Frequently Asked Questions

What is the IUPAC name of methoxyethane;1-methoxypropan-2-yl acetate?
The IUPAC name of methoxyethane;1-methoxypropan-2-yl acetate (CID 174926561) is methoxyethane;1-methoxypropan-2-yl acetate.
What is the SMILES notation for methoxyethane;1-methoxypropan-2-yl acetate?
The canonical SMILES for methoxyethane;1-methoxypropan-2-yl acetate is CCOC.COCC(C)OC(C)=O.
What is the InChIKey of methoxyethane;1-methoxypropan-2-yl acetate?
The InChIKey is OBUSECRTQKCVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C3H8O/c1-5(4-8-3)9-6(2)7;1-3-4-2/h5H,4H2,1-3H3;3H2,1-2H3.
What are the key properties of methoxyethane;1-methoxypropan-2-yl acetate?
methoxyethane;1-methoxypropan-2-yl acetate has a molecular weight of 192.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;1-methoxypropan-2-yl acetate is sourced from PubChem (CID 174926561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).