1,2-dimethoxypropane;ethyl propanoate

C10H22O4 — CID 160979574

IUPAC1,2-dimethoxypropane;ethyl propanoate
SMILESCCOC(=O)CC.COCC(C)OC
InChIInChI=1S/C5H12O2.C5H10O2/c1-5(7-3)4-6-2;1-3-5(6)7-4-2/h5H,4H2,1-3H3;3-4H2,1-2H3
InChIKeySZIHRECUQXFWGS-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.63
Rot. Bonds5

About 1,2-dimethoxypropane;ethyl propanoate

1,2-dimethoxypropane;ethyl propanoate (PubChem CID 160979574) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,2-dimethoxypropane;ethyl propanoate.

Molecular Properties

Compound Name1,2-dimethoxypropane;ethyl propanoate
PubChem CID160979574
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1,2-dimethoxypropane;ethyl propanoate
SMILESCCOC(=O)CC.COCC(C)OC
InChIInChI=1S/C5H12O2.C5H10O2/c1-5(7-3)4-6-2;1-3-5(6)7-4-2/h5H,4H2,1-3H3;3-4H2,1-2H3
InChIKeySZIHRECUQXFWGS-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-methoxybutyl] propanoate
CID 102330926
ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
calcium;ethyl propanoate;hydride
CID 173132885
ethyl propanoate;tin(2+);dichloride
CID 171374953
1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;holmium
CID 175853773
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;1-(2-ethoxyethoxy)-2-methoxyethane
CID 158715782
ethyl 5-methoxy-3-oxohexanoate
CID 58193892
1-methoxypropan-2-yl acetate;2-methoxypropyl acetate
CID 87233398

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxypropane;ethyl propanoate?
The IUPAC name of 1,2-dimethoxypropane;ethyl propanoate (CID 160979574) is 1,2-dimethoxypropane;ethyl propanoate.
What is the SMILES notation for 1,2-dimethoxypropane;ethyl propanoate?
The canonical SMILES for 1,2-dimethoxypropane;ethyl propanoate is CCOC(=O)CC.COCC(C)OC.
What is the InChIKey of 1,2-dimethoxypropane;ethyl propanoate?
The InChIKey is SZIHRECUQXFWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C5H10O2/c1-5(7-3)4-6-2;1-3-5(6)7-4-2/h5H,4H2,1-3H3;3-4H2,1-2H3.
What are the key properties of 1,2-dimethoxypropane;ethyl propanoate?
1,2-dimethoxypropane;ethyl propanoate has a molecular weight of 206.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxypropane;ethyl propanoate is sourced from PubChem (CID 160979574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).