5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene

C22H24 — CID 173056594

IUPAC5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene
SMILESC=CC1(C)C=CC=C(C)C1.C=Cc1cccc2ccccc12
InChIInChI=1S/C12H10.C10H14/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-4-10(3)7-5-6-9(2)8-10/h2-9H,1H2;4-7H,1,8H2,2-3H3
InChIKeyQTKYFLURSUGMPX-UHFFFAOYSA-N
MW288.43 g/mol
LogP6.57
Rot. Bonds2

About 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene

5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene (PubChem CID 173056594) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene.

Molecular Properties

Compound Name5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene
PubChem CID173056594
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene
SMILESC=CC1(C)C=CC=C(C)C1.C=Cc1cccc2ccccc12
InChIInChI=1S/C12H10.C10H14/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-4-10(3)7-5-6-9(2)8-10/h2-9H,1H2;4-7H,1,8H2,2-3H3
InChIKeyQTKYFLURSUGMPX-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene?
The IUPAC name of 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene (CID 173056594) is 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene.
What is the SMILES notation for 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene?
The canonical SMILES for 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene is C=CC1(C)C=CC=C(C)C1.C=Cc1cccc2ccccc12.
What is the InChIKey of 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene?
The InChIKey is QTKYFLURSUGMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H14/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-4-10(3)7-5-6-9(2)8-10/h2-9H,1H2;4-7H,1,8H2,2-3H3.
What are the key properties of 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene?
5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene has a molecular weight of 288.43 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,5-dimethylcyclohexa-1,3-diene;1-ethenylnaphthalene is sourced from PubChem (CID 173056594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).