1,2-bis(2-ethylbutoxy)cyclohexane

C18H36O2 — CID 24957147

IUPAC1,2-bis(2-ethylbutoxy)cyclohexane
SMILESCCC(CC)COC1CCCCC1OCC(CC)CC
InChIInChI=1S/C18H36O2/c1-5-15(6-2)13-19-17-11-9-10-12-18(17)20-14-16(7-3)8-4/h15-18H,5-14H2,1-4H3
InChIKeyHVMAPARESNKWLU-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.20
Rot. Bonds10

About 1,2-bis(2-ethylbutoxy)cyclohexane

1,2-bis(2-ethylbutoxy)cyclohexane (PubChem CID 24957147) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 1,2-bis(2-ethylbutoxy)cyclohexane.

Molecular Properties

Compound Name1,2-bis(2-ethylbutoxy)cyclohexane
PubChem CID24957147
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name1,2-bis(2-ethylbutoxy)cyclohexane
SMILESCCC(CC)COC1CCCCC1OCC(CC)CC
InChIInChI=1S/C18H36O2/c1-5-15(6-2)13-19-17-11-9-10-12-18(17)20-14-16(7-3)8-4/h15-18H,5-14H2,1-4H3
InChIKeyHVMAPARESNKWLU-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-ethylbutoxy)cyclohexane?
The IUPAC name of 1,2-bis(2-ethylbutoxy)cyclohexane (CID 24957147) is 1,2-bis(2-ethylbutoxy)cyclohexane.
What is the SMILES notation for 1,2-bis(2-ethylbutoxy)cyclohexane?
The canonical SMILES for 1,2-bis(2-ethylbutoxy)cyclohexane is CCC(CC)COC1CCCCC1OCC(CC)CC.
What is the InChIKey of 1,2-bis(2-ethylbutoxy)cyclohexane?
The InChIKey is HVMAPARESNKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-5-15(6-2)13-19-17-11-9-10-12-18(17)20-14-16(7-3)8-4/h15-18H,5-14H2,1-4H3.
What are the key properties of 1,2-bis(2-ethylbutoxy)cyclohexane?
1,2-bis(2-ethylbutoxy)cyclohexane has a molecular weight of 284.48 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-ethylbutoxy)cyclohexane is sourced from PubChem (CID 24957147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).