1-cyclohexyl-2-(methoxymethoxy)ethanone

C10H18O3 — CID 10012662

IUPAC1-cyclohexyl-2-(methoxymethoxy)ethanone
SMILESCOCOCC(=O)C1CCCCC1
InChIInChI=1S/C10H18O3/c1-12-8-13-7-10(11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyHGVUJMRFUIIPPX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.76
Rot. Bonds5

About 1-cyclohexyl-2-(methoxymethoxy)ethanone

1-cyclohexyl-2-(methoxymethoxy)ethanone (PubChem CID 10012662) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cyclohexyl-2-(methoxymethoxy)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(methoxymethoxy)ethanone
PubChem CID10012662
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-cyclohexyl-2-(methoxymethoxy)ethanone
SMILESCOCOCC(=O)C1CCCCC1
InChIInChI=1S/C10H18O3/c1-12-8-13-7-10(11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyHGVUJMRFUIIPPX-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-cyclohexyl-2-(methoxymethoxy)ethanone?
The IUPAC name of 1-cyclohexyl-2-(methoxymethoxy)ethanone (CID 10012662) is 1-cyclohexyl-2-(methoxymethoxy)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(methoxymethoxy)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(methoxymethoxy)ethanone is COCOCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(methoxymethoxy)ethanone?
The InChIKey is HGVUJMRFUIIPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-12-8-13-7-10(11)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-2-(methoxymethoxy)ethanone?
1-cyclohexyl-2-(methoxymethoxy)ethanone has a molecular weight of 186.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(methoxymethoxy)ethanone is sourced from PubChem (CID 10012662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).