2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene

C21H24O — CID 139861791

IUPAC2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C3CCC(C=C)CC3)ccc2c1
InChIInChI=1S/C21H24O/c1-3-13-22-21-12-11-19-14-18(9-10-20(19)15-21)17-7-5-16(4-2)6-8-17/h3-4,9-12,14-17H,1-2,5-8,13H2
InChIKeyWZZSQTURKVYMEN-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.86
Rot. Bonds5

About 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene

2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene (PubChem CID 139861791) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene
PubChem CID139861791
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C3CCC(C=C)CC3)ccc2c1
InChIInChI=1S/C21H24O/c1-3-13-22-21-12-11-19-14-18(9-10-20(19)15-21)17-7-5-16(4-2)6-8-17/h3-4,9-12,14-17H,1-2,5-8,13H2
InChIKeyWZZSQTURKVYMEN-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139863124
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139862355
2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene
CID 139863023
3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene
CID 139862921
2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
CID 139862840
1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene
CID 147093203
2-(4-prop-2-enoxyphenyl)-6-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868787
2-[(E)-but-2-enoxy]-6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383055
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene?
The IUPAC name of 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene (CID 139861791) is 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene.
What is the SMILES notation for 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene?
The canonical SMILES for 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene is C=CCOc1ccc2cc(C3CCC(C=C)CC3)ccc2c1.
What is the InChIKey of 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene?
The InChIKey is WZZSQTURKVYMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-3-13-22-21-12-11-19-14-18(9-10-20(19)15-21)17-7-5-16(4-2)6-8-17/h3-4,9-12,14-17H,1-2,5-8,13H2.
What are the key properties of 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene?
2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene has a molecular weight of 292.42 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene is sourced from PubChem (CID 139861791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).