1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane

C28H54O2 — CID 18606921

IUPAC1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
SMILESCCCCC1CCC(CCOC(C)C(C)OCCC2CCC(CCCC)CC2)CC1
InChIInChI=1S/C28H54O2/c1-5-7-9-25-11-15-27(16-12-25)19-21-29-23(3)24(4)30-22-20-28-17-13-26(14-18-28)10-8-6-2/h23-28H,5-22H2,1-4H3
InChIKeyWJRRGPKXJNUDMU-UHFFFAOYSA-N
MW422.74 g/mol
LogP8.57
Rot. Bonds15

About 1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane

1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane (PubChem CID 18606921) has the molecular formula C28H54O2 and a molecular weight of 422.74 g/mol. Its IUPAC name is 1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane.

Molecular Properties

Compound Name1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
PubChem CID18606921
Molecular FormulaC28H54O2
Molecular Weight422.74 g/mol
Exact Mass422.41
IUPAC Name1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
SMILESCCCCC1CCC(CCOC(C)C(C)OCCC2CCC(CCCC)CC2)CC1
InChIInChI=1S/C28H54O2/c1-5-7-9-25-11-15-27(16-12-25)19-21-29-23(3)24(4)30-22-20-28-17-13-26(14-18-28)10-8-6-2/h23-28H,5-22H2,1-4H3
InChIKeyWJRRGPKXJNUDMU-UHFFFAOYSA-N
XLogP8.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hexane;pentylcyclopropane
CID 159592467
N-[(4-butylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 63505259
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
tetradecane;undecylcyclopropane
CID 173215670
octadecane;pentadecylcyclopropane
CID 173301851
2-(4-butylcyclohexyl)ethanol
CID 15085164
bis[1-(4-butylcyclohexyl)ethyl] carbonate
CID 141418629
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane?
The IUPAC name of 1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane (CID 18606921) is 1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane.
What is the SMILES notation for 1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane?
The canonical SMILES for 1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane is CCCCC1CCC(CCOC(C)C(C)OCCC2CCC(CCCC)CC2)CC1.
What is the InChIKey of 1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane?
The InChIKey is WJRRGPKXJNUDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O2/c1-5-7-9-25-11-15-27(16-12-25)19-21-29-23(3)24(4)30-22-20-28-17-13-26(14-18-28)10-8-6-2/h23-28H,5-22H2,1-4H3.
What are the key properties of 1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane?
1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane has a molecular weight of 422.74 g/mol, XLogP of 8.57, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-[3-[2-(4-butylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane is sourced from PubChem (CID 18606921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).