1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane

C23H44O2 — CID 67843719

IUPAC1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane
SMILESCCCCC1CCC(CCC2CCC(COCCOCC)CC2)CC1
InChIInChI=1S/C23H44O2/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)19-25-18-17-24-4-2/h20-23H,3-19H2,1-2H3
InChIKeyAXDBCEMWTCRVKZ-UHFFFAOYSA-N
MW352.60 g/mol
LogP6.62
Rot. Bonds12

About 1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane

1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane (PubChem CID 67843719) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane
PubChem CID67843719
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane
SMILESCCCCC1CCC(CCC2CCC(COCCOCC)CC2)CC1
InChIInChI=1S/C23H44O2/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)19-25-18-17-24-4-2/h20-23H,3-19H2,1-2H3
InChIKeyAXDBCEMWTCRVKZ-UHFFFAOYSA-N
XLogP6.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 56.62
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-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane
CID 134545035
dodecoxymethylcyclopropane;methane;tetradecoxymethylcyclopropane;tridecoxymethylcyclopropane
CID 161458556
4-[2-[4-(pentoxymethyl)cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 19899818
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-[[(Z)-but-2-enoxy]methyl]-4-(4-butylcyclohexyl)cyclohexane
CID 67898877
hexane;pentylcyclopropane
CID 159592467
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
CID 43130311
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane (CID 67843719) is 1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane is CCCCC1CCC(CCC2CCC(COCCOCC)CC2)CC1.
What is the InChIKey of 1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is AXDBCEMWTCRVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)19-25-18-17-24-4-2/h20-23H,3-19H2,1-2H3.
What are the key properties of 1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane?
1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 352.60 g/mol, XLogP of 6.62, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 67843719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).