4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane

C15H30O2 — CID 58623242

IUPAC4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane
SMILESCOCCOC1CCC(C(C)C)(C(C)C)CC1
InChIInChI=1S/C15H30O2/c1-12(2)15(13(3)4)8-6-14(7-9-15)17-11-10-16-5/h12-14H,6-11H2,1-5H3
InChIKeyAECOGFXUCIGJLN-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.89
Rot. Bonds6

About 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane

4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane (PubChem CID 58623242) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane
PubChem CID58623242
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane
SMILESCOCCOC1CCC(C(C)C)(C(C)C)CC1
InChIInChI=1S/C15H30O2/c1-12(2)15(13(3)4)8-6-14(7-9-15)17-11-10-16-5/h12-14H,6-11H2,1-5H3
InChIKeyAECOGFXUCIGJLN-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane?
The IUPAC name of 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane (CID 58623242) is 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane?
The canonical SMILES for 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane is COCCOC1CCC(C(C)C)(C(C)C)CC1.
What is the InChIKey of 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane?
The InChIKey is AECOGFXUCIGJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-12(2)15(13(3)4)8-6-14(7-9-15)17-11-10-16-5/h12-14H,6-11H2,1-5H3.
What are the key properties of 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane?
4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane has a molecular weight of 242.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1,1-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 58623242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).