1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane

C18H34O — CID 580058

IUPAC1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane
SMILESCC1CCC(CCOCCC2CCC(C)CC2)CC1
InChIInChI=1S/C18H34O/c1-15-3-7-17(8-4-15)11-13-19-14-12-18-9-5-16(2)6-10-18/h15-18H,3-14H2,1-2H3
InChIKeyIDUAXNKQWGBLIL-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.44
Rot. Bonds6

About 1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane

1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane (PubChem CID 580058) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane
PubChem CID580058
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane
SMILESCC1CCC(CCOCCC2CCC(C)CC2)CC1
InChIInChI=1S/C18H34O/c1-15-3-7-17(8-4-15)11-13-19-14-12-18-9-5-16(2)6-10-18/h15-18H,3-14H2,1-2H3
InChIKeyIDUAXNKQWGBLIL-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.44
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 1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane?
The IUPAC name of 1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane (CID 580058) is 1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane is CC1CCC(CCOCCC2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane?
The InChIKey is IDUAXNKQWGBLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-15-3-7-17(8-4-15)11-13-19-14-12-18-9-5-16(2)6-10-18/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane?
1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane has a molecular weight of 266.47 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-(4-methylcyclohexyl)ethoxy]ethyl]cyclohexane is sourced from PubChem (CID 580058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).