1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane

C18H30F2O — CID 122540842

IUPAC1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane
SMILESC=CC(CCC)CCCC(F)(F)OC1CCC(C=C)CC1
InChIInChI=1S/C18H30F2O/c1-4-8-15(5-2)9-7-14-18(19,20)21-17-12-10-16(6-3)11-13-17/h5-6,15-17H,2-4,7-14H2,1H3
InChIKeyMZCWOYRAULKQPU-UHFFFAOYSA-N
MW300.43 g/mol
LogP6.11
Rot. Bonds10

About 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane

1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane (PubChem CID 122540842) has the molecular formula C18H30F2O and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane
PubChem CID122540842
Molecular FormulaC18H30F2O
Molecular Weight300.43 g/mol
Exact Mass300.23
IUPAC Name1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane
SMILESC=CC(CCC)CCCC(F)(F)OC1CCC(C=C)CC1
InChIInChI=1S/C18H30F2O/c1-4-8-15(5-2)9-7-14-18(19,20)21-17-12-10-16(6-3)11-13-17/h5-6,15-17H,2-4,7-14H2,1H3
InChIKeyMZCWOYRAULKQPU-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane?
The IUPAC name of 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane (CID 122540842) is 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane.
What is the SMILES notation for 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane?
The canonical SMILES for 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane is C=CC(CCC)CCCC(F)(F)OC1CCC(C=C)CC1.
What is the InChIKey of 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane?
The InChIKey is MZCWOYRAULKQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2O/c1-4-8-15(5-2)9-7-14-18(19,20)21-17-12-10-16(6-3)11-13-17/h5-6,15-17H,2-4,7-14H2,1H3.
What are the key properties of 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane?
1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane has a molecular weight of 300.43 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane is sourced from PubChem (CID 122540842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).