1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane

C17H30O — CID 91305071

IUPAC1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESC=COC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C17H30O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h4,14-17H,2-3,5-13H2,1H3
InChIKeyCQTIVBXTWGXEFO-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.31
Rot. Bonds5

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

1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 91305071) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane
PubChem CID91305071
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESC=COC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C17H30O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h4,14-17H,2-3,5-13H2,1H3
InChIKeyCQTIVBXTWGXEFO-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane (CID 91305071) is 1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane is C=COC1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is CQTIVBXTWGXEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h4,14-17H,2-3,5-13H2,1H3.
What are the key properties of 1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane?
1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 250.43 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 91305071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).