1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane

C16H30O2 — CID 14915886

IUPAC1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane
SMILESCC1CCC(OCCOC2CCC(C)CC2)CC1
InChIInChI=1S/C16H30O2/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h13-16H,3-12H2,1-2H3
InChIKeyWKYNTKJFSTUYQA-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.18
Rot. Bonds5

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

1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane (PubChem CID 14915886) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane
PubChem CID14915886
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane
SMILESCC1CCC(OCCOC2CCC(C)CC2)CC1
InChIInChI=1S/C16H30O2/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h13-16H,3-12H2,1-2H3
InChIKeyWKYNTKJFSTUYQA-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.18
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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Related Compounds

1-Methyl-4-(4-methylcyclohexyl)oxycyclohexane
CID 23565647
Cyclohexane, 1-methoxy-2-[(2-methylcyclohexyl)oxy]-
CID 487542
2-Ethylenedioxy-5-methylheptane
CID 129811787
[(1R)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane
CID 135036831
(1S,2S)-1,2-dicyclohexyl-1,2-dimethoxyethane
CID 172635704
1-Cyclohexyloxy-4-methylcyclohexane
CID 9990283
1-(2-Methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 14439038
2,5-Dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 15642146
1-Ethoxy-4-methylcyclohexane
CID 17894801
1-Butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
CID 18606921
1-Ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
CID 18606923
1-Pentyl-4-[2-[3-[2-(4-pentylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
CID 18606927

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane?
The IUPAC name of 1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane (CID 14915886) is 1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane.
What is the SMILES notation for 1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane?
The canonical SMILES for 1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane is CC1CCC(OCCOC2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane?
The InChIKey is WKYNTKJFSTUYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane?
1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane has a molecular weight of 254.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane is sourced from PubChem (CID 14915886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).