methoxyethane;3-methoxyprop-1-ene;methyl acetate

C10H22O4 — CID 158707708

IUPACmethoxyethane;3-methoxyprop-1-ene;methyl acetate
SMILESC=CCOC.CCOC.COC(C)=O
InChIInChI=1S/C4H8O.C3H6O2.C3H8O/c1-3-4-5-2;1-3(4)5-2;1-3-4-2/h3H,1,4H2,2H3;1-2H3;3H2,1-2H3
InChIKeyIIICTJWUIOHGTO-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.65
Rot. Bonds3

About methoxyethane;3-methoxyprop-1-ene;methyl acetate

methoxyethane;3-methoxyprop-1-ene;methyl acetate (PubChem CID 158707708) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is methoxyethane;3-methoxyprop-1-ene;methyl acetate.

Molecular Properties

Compound Namemethoxyethane;3-methoxyprop-1-ene;methyl acetate
PubChem CID158707708
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Namemethoxyethane;3-methoxyprop-1-ene;methyl acetate
SMILESC=CCOC.CCOC.COC(C)=O
InChIInChI=1S/C4H8O.C3H6O2.C3H8O/c1-3-4-5-2;1-3(4)5-2;1-3-4-2/h3H,1,4H2,2H3;1-2H3;3H2,1-2H3
InChIKeyIIICTJWUIOHGTO-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;3-methoxyprop-1-ene
CID 157168477
methyl acetate;ruthenium
CID 160799101
decanedioic acid;3-methoxyprop-1-ene
CID 175934270
ethyl acetate;methoxyethane;propane
CID 159041410
ethane-1,2-diol;3-methoxyprop-1-ene;bis(2-sulfanylacetic acid)
CID 174510953
butan-2-one;prop-2-enyl acetate
CID 118347758
ethoxy(dimethyl)silane;3-methoxyprop-1-ene
CID 175122432
CID 159985177
CID 159985177
methane;methyl acetate
CID 162094565
argon;methyl acetate
CID 169424774
copper;methyl acetate
CID 174340034
methyl acetate;titanium
CID 87665287

Frequently Asked Questions

What is the IUPAC name of methoxyethane;3-methoxyprop-1-ene;methyl acetate?
The IUPAC name of methoxyethane;3-methoxyprop-1-ene;methyl acetate (CID 158707708) is methoxyethane;3-methoxyprop-1-ene;methyl acetate.
What is the SMILES notation for methoxyethane;3-methoxyprop-1-ene;methyl acetate?
The canonical SMILES for methoxyethane;3-methoxyprop-1-ene;methyl acetate is C=CCOC.CCOC.COC(C)=O.
What is the InChIKey of methoxyethane;3-methoxyprop-1-ene;methyl acetate?
The InChIKey is IIICTJWUIOHGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O2.C3H8O/c1-3-4-5-2;1-3(4)5-2;1-3-4-2/h3H,1,4H2,2H3;1-2H3;3H2,1-2H3.
What are the key properties of methoxyethane;3-methoxyprop-1-ene;methyl acetate?
methoxyethane;3-methoxyprop-1-ene;methyl acetate has a molecular weight of 206.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;3-methoxyprop-1-ene;methyl acetate is sourced from PubChem (CID 158707708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).