1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane

C14H28O3 — CID 12776570

IUPAC1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane
SMILESCOCCOCOC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28O3/c1-14(2,3)12-5-7-13(8-6-12)17-11-16-10-9-15-4/h12-13H,5-11H2,1-4H3
InChIKeyYUDYZLNXKALDEQ-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.23
Rot. Bonds6

About 1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane

1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane (PubChem CID 12776570) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane
PubChem CID12776570
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane
SMILESCOCCOCOC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28O3/c1-14(2,3)12-5-7-13(8-6-12)17-11-16-10-9-15-4/h12-13H,5-11H2,1-4H3
InChIKeyYUDYZLNXKALDEQ-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.23
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-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane (CID 12776570) is 1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane is COCCOCOC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane?
The InChIKey is YUDYZLNXKALDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-14(2,3)12-5-7-13(8-6-12)17-11-16-10-9-15-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane?
1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane has a molecular weight of 244.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methoxyethoxymethoxy)cyclohexane is sourced from PubChem (CID 12776570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).