1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane

C20H38O5 — CID 22447736

IUPAC1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane
SMILESCOCCOCC1(OC2(COCCOC)CCCCC2)CCCCC1
InChIInChI=1S/C20H38O5/c1-21-13-15-23-17-19(9-5-3-6-10-19)25-20(11-7-4-8-12-20)18-24-16-14-22-2/h3-18H2,1-2H3
InChIKeyCVYVZMKYUVMLHI-UHFFFAOYSA-N
MW358.52 g/mol
LogP3.73
Rot. Bonds12

About 1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane

1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane (PubChem CID 22447736) has the molecular formula C20H38O5 and a molecular weight of 358.52 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane.

Molecular Properties

Compound Name1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane
PubChem CID22447736
Molecular FormulaC20H38O5
Molecular Weight358.52 g/mol
Exact Mass358.27
IUPAC Name1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane
SMILESCOCCOCC1(OC2(COCCOC)CCCCC2)CCCCC1
InChIInChI=1S/C20H38O5/c1-21-13-15-23-17-19(9-5-3-6-10-19)25-20(11-7-4-8-12-20)18-24-16-14-22-2/h3-18H2,1-2H3
InChIKeyCVYVZMKYUVMLHI-UHFFFAOYSA-N
XLogP3.73
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 53.73
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

trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane
CID 70179355
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
CID 114775131
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclopentane
CID 65001082
1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine
CID 104565674
N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
CID 104565648
1-(2,2,2-trichloroethoxymethyl)-1-[1-(2,2,2-trichloroethoxymethyl)cyclohexyl]oxycyclohexane
CID 22447599
[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide
CID 65010433
1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane
CID 13180892
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine
CID 104568568
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473
1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid
CID 120539104

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane?
The IUPAC name of 1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane (CID 22447736) is 1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane.
What is the SMILES notation for 1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane?
The canonical SMILES for 1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane is COCCOCC1(OC2(COCCOC)CCCCC2)CCCCC1.
What is the InChIKey of 1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane?
The InChIKey is CVYVZMKYUVMLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O5/c1-21-13-15-23-17-19(9-5-3-6-10-19)25-20(11-7-4-8-12-20)18-24-16-14-22-2/h3-18H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane?
1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane has a molecular weight of 358.52 g/mol, XLogP of 3.73, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane is sourced from PubChem (CID 22447736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).