1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane

C14H28O3 — CID 13180892

IUPAC1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane
SMILESCCCCC1(OCOCCOC)CCCCC1
InChIInChI=1S/C14H28O3/c1-3-4-8-14(9-6-5-7-10-14)17-13-16-12-11-15-2/h3-13H2,1-2H3
InChIKeySSQBYQIIXCVECO-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.52
Rot. Bonds9

About 1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane

1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane (PubChem CID 13180892) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane.

Molecular Properties

Compound Name1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane
PubChem CID13180892
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane
SMILESCCCCC1(OCOCCOC)CCCCC1
InChIInChI=1S/C14H28O3/c1-3-4-8-14(9-6-5-7-10-14)17-13-16-12-11-15-2/h3-13H2,1-2H3
InChIKeySSQBYQIIXCVECO-UHFFFAOYSA-N
XLogP3.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.52
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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Related Compounds

(1-butylcyclohexyl)oxymethyl hypobromite
CID 134895111
2-(1-butylcyclohexyl)oxyethanol
CID 141443890
1-butyl-1-hydroperoxycyclohexane
CID 18362273
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
CID 114775131
1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane
CID 22447736
N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
CID 104565648
(1-butylcyclopentyl)oxy-fluorophosphinic acid
CID 150124929
bis(1-pentylcyclohexyl) butanedioate
CID 174843513
1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine
CID 104565674
1-ethoxy-1-propylcyclohexane
CID 154221474
N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
CID 103274564
(1-pentylcyclohexyl) butanoate
CID 101311537

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane?
The IUPAC name of 1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane (CID 13180892) is 1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane.
What is the SMILES notation for 1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane?
The canonical SMILES for 1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane is CCCCC1(OCOCCOC)CCCCC1.
What is the InChIKey of 1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane?
The InChIKey is SSQBYQIIXCVECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-3-4-8-14(9-6-5-7-10-14)17-13-16-12-11-15-2/h3-13H2,1-2H3.
What are the key properties of 1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane?
1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane has a molecular weight of 244.37 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane is sourced from PubChem (CID 13180892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).