1-[1-(methoxymethoxy)cyclohexyl]ethanone

C10H18O3 — CID 542578

IUPAC1-[1-(methoxymethoxy)cyclohexyl]ethanone
SMILESCOCOC1(C(C)=O)CCCCC1
InChIInChI=1S/C10H18O3/c1-9(11)10(13-8-12-2)6-4-3-5-7-10/h3-8H2,1-2H3
InChIKeyZTJGLDONJNJWPP-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.90
Rot. Bonds4

About 1-[1-(methoxymethoxy)cyclohexyl]ethanone

1-[1-(methoxymethoxy)cyclohexyl]ethanone (PubChem CID 542578) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[1-(methoxymethoxy)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[1-(methoxymethoxy)cyclohexyl]ethanone
PubChem CID542578
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-[1-(methoxymethoxy)cyclohexyl]ethanone
SMILESCOCOC1(C(C)=O)CCCCC1
InChIInChI=1S/C10H18O3/c1-9(11)10(13-8-12-2)6-4-3-5-7-10/h3-8H2,1-2H3
InChIKeyZTJGLDONJNJWPP-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethoxy)cyclohexyl]ethanone?
The IUPAC name of 1-[1-(methoxymethoxy)cyclohexyl]ethanone (CID 542578) is 1-[1-(methoxymethoxy)cyclohexyl]ethanone.
What is the SMILES notation for 1-[1-(methoxymethoxy)cyclohexyl]ethanone?
The canonical SMILES for 1-[1-(methoxymethoxy)cyclohexyl]ethanone is COCOC1(C(C)=O)CCCCC1.
What is the InChIKey of 1-[1-(methoxymethoxy)cyclohexyl]ethanone?
The InChIKey is ZTJGLDONJNJWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(11)10(13-8-12-2)6-4-3-5-7-10/h3-8H2,1-2H3.
What are the key properties of 1-[1-(methoxymethoxy)cyclohexyl]ethanone?
1-[1-(methoxymethoxy)cyclohexyl]ethanone has a molecular weight of 186.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethoxy)cyclohexyl]ethanone is sourced from PubChem (CID 542578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).