methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone

C9H18O4 — CID 171102194

IUPACmethoxymethane;1-(5-methoxyoxolan-2-yl)ethanone
SMILESCOC.COC1CCC(C(C)=O)O1
InChIInChI=1S/C7H12O3.C2H6O/c1-5(8)6-3-4-7(9-2)10-6;1-3-2/h6-7H,3-4H2,1-2H3;1-2H3
InChIKeyNBCRWYVYEWCGMX-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.99
Rot. Bonds2

About methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone

methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone (PubChem CID 171102194) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone.

Molecular Properties

Compound Namemethoxymethane;1-(5-methoxyoxolan-2-yl)ethanone
PubChem CID171102194
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Namemethoxymethane;1-(5-methoxyoxolan-2-yl)ethanone
SMILESCOC.COC1CCC(C(C)=O)O1
InChIInChI=1S/C7H12O3.C2H6O/c1-5(8)6-3-4-7(9-2)10-6;1-3-2/h6-7H,3-4H2,1-2H3;1-2H3
InChIKeyNBCRWYVYEWCGMX-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone?
The IUPAC name of methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone (CID 171102194) is methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone.
What is the SMILES notation for methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone?
The canonical SMILES for methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone is COC.COC1CCC(C(C)=O)O1.
What is the InChIKey of methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone?
The InChIKey is NBCRWYVYEWCGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C2H6O/c1-5(8)6-3-4-7(9-2)10-6;1-3-2/h6-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone?
methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone has a molecular weight of 190.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1-(5-methoxyoxolan-2-yl)ethanone is sourced from PubChem (CID 171102194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).