1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane

C14H28O2 — CID 167076241

IUPAC1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane
SMILESCOCCOC1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C14H28O2/c1-14(2,3)11-12-5-7-13(8-6-12)16-10-9-15-4/h12-13H,5-11H2,1-4H3
InChIKeyXDTMDGHSTQDQHJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.64
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane

1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane (PubChem CID 167076241) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane
PubChem CID167076241
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane
SMILESCOCCOC1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C14H28O2/c1-14(2,3)11-12-5-7-13(8-6-12)16-10-9-15-4/h12-13H,5-11H2,1-4H3
InChIKeyXDTMDGHSTQDQHJ-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane (CID 167076241) is 1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane is COCCOC1CCC(CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane?
The InChIKey is XDTMDGHSTQDQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-14(2,3)11-12-5-7-13(8-6-12)16-10-9-15-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane?
1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-(2-methoxyethoxy)cyclohexane is sourced from PubChem (CID 167076241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).