1-(2,2-dicyclohexylethenyl)-4-methylbenzene

C21H30 — CID 175049807

IUPAC1-(2,2-dicyclohexylethenyl)-4-methylbenzene
SMILESCc1ccc(C=C(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H30/c1-17-12-14-18(15-13-17)16-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h12-16,19-20H,2-11H2,1H3
InChIKeyWUNWWWVLEIJMKE-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.54
Rot. Bonds3

About 1-(2,2-dicyclohexylethenyl)-4-methylbenzene

1-(2,2-dicyclohexylethenyl)-4-methylbenzene (PubChem CID 175049807) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(2,2-dicyclohexylethenyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2,2-dicyclohexylethenyl)-4-methylbenzene
PubChem CID175049807
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name1-(2,2-dicyclohexylethenyl)-4-methylbenzene
SMILESCc1ccc(C=C(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H30/c1-17-12-14-18(15-13-17)16-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h12-16,19-20H,2-11H2,1H3
InChIKeyWUNWWWVLEIJMKE-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dicyclohexylethenyl)-4-methylbenzene?
The IUPAC name of 1-(2,2-dicyclohexylethenyl)-4-methylbenzene (CID 175049807) is 1-(2,2-dicyclohexylethenyl)-4-methylbenzene.
What is the SMILES notation for 1-(2,2-dicyclohexylethenyl)-4-methylbenzene?
The canonical SMILES for 1-(2,2-dicyclohexylethenyl)-4-methylbenzene is Cc1ccc(C=C(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 1-(2,2-dicyclohexylethenyl)-4-methylbenzene?
The InChIKey is WUNWWWVLEIJMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30/c1-17-12-14-18(15-13-17)16-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h12-16,19-20H,2-11H2,1H3.
What are the key properties of 1-(2,2-dicyclohexylethenyl)-4-methylbenzene?
1-(2,2-dicyclohexylethenyl)-4-methylbenzene has a molecular weight of 282.47 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dicyclohexylethenyl)-4-methylbenzene is sourced from PubChem (CID 175049807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).