1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane

C12H28O5 — CID 158715782

IUPAC1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane
SMILESCCOCCOCCOC.COCC(C)OC
InChIInChI=1S/C7H16O3.C5H12O2/c1-3-9-6-7-10-5-4-8-2;1-5(7-3)4-6-2/h3-7H2,1-2H3;5H,4H2,1-3H3
InChIKeyIJHGNBSSWVMIHY-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.35
Rot. Bonds10

About 1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane

1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane (PubChem CID 158715782) has the molecular formula C12H28O5 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane.

Molecular Properties

Compound Name1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane
PubChem CID158715782
Molecular FormulaC12H28O5
Molecular Weight252.35 g/mol
Exact Mass252.19
IUPAC Name1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane
SMILESCCOCCOCCOC.COCC(C)OC
InChIInChI=1S/C7H16O3.C5H12O2/c1-3-9-6-7-10-5-4-8-2;1-5(7-3)4-6-2/h3-7H2,1-2H3;5H,4H2,1-3H3
InChIKeyIJHGNBSSWVMIHY-UHFFFAOYSA-N
XLogP1.35
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-(2-methoxypropoxy)propane
CID 158788669
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;holmium
CID 175853773
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
3-[2-(2-ethoxyethoxy)ethoxy]-1-methoxybutane
CID 129235286
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane
CID 158068416

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane?
The IUPAC name of 1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane (CID 158715782) is 1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane.
What is the SMILES notation for 1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane?
The canonical SMILES for 1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane is CCOCCOCCOC.COCC(C)OC.
What is the InChIKey of 1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane?
The InChIKey is IJHGNBSSWVMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3.C5H12O2/c1-3-9-6-7-10-5-4-8-2;1-5(7-3)4-6-2/h3-7H2,1-2H3;5H,4H2,1-3H3.
What are the key properties of 1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane?
1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane has a molecular weight of 252.35 g/mol, XLogP of 1.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane is sourced from PubChem (CID 158715782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).