1-ethoxy-4-(4-propylcyclohexyl)cyclohexane

C17H32O — CID 559130

IUPAC1-ethoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OCC)CC2)CC1
InChIInChI=1S/C17H32O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h14-17H,3-13H2,1-2H3
InChIKeyWFNGXXFOYRNZIV-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.19
Rot. Bonds5

About 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane

1-ethoxy-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 559130) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-(4-propylcyclohexyl)cyclohexane
PubChem CID559130
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-ethoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OCC)CC2)CC1
InChIInChI=1S/C17H32O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h14-17H,3-13H2,1-2H3
InChIKeyWFNGXXFOYRNZIV-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane (CID 559130) is 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(OCC)CC2)CC1.
What is the InChIKey of 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is WFNGXXFOYRNZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane?
1-ethoxy-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 252.44 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 559130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).