4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane

C24H46O — CID 68975201

IUPAC4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(CCOCCC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C24H46O/c1-17(2)23-9-7-19(5)15-21(23)11-13-25-14-12-22-16-20(6)8-10-24(22)18(3)4/h17-24H,7-16H2,1-6H3
InChIKeyOATSQOAAELJJFG-UHFFFAOYSA-N
MW350.63 g/mol
LogP7.20
Rot. Bonds8

About 4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane

4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane (PubChem CID 68975201) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane
PubChem CID68975201
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(CCOCCC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C24H46O/c1-17(2)23-9-7-19(5)15-21(23)11-13-25-14-12-22-16-20(6)8-10-24(22)18(3)4/h17-24H,7-16H2,1-6H3
InChIKeyOATSQOAAELJJFG-UHFFFAOYSA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane (CID 68975201) is 4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(CCOCCC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane?
The InChIKey is OATSQOAAELJJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-17(2)23-9-7-19(5)15-21(23)11-13-25-14-12-22-16-20(6)8-10-24(22)18(3)4/h17-24H,7-16H2,1-6H3.
What are the key properties of 4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane?
4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane has a molecular weight of 350.63 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethoxy]ethyl]-1-propan-2-ylcyclohexane is sourced from PubChem (CID 68975201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).