1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene

C26H36 — CID 150936186

IUPAC1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene
SMILESCC(c1ccccc1C1CCCCC1)C1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C26H36/c1-21(24-17-9-10-18-25(24)22-13-5-2-6-14-22)26(19-11-4-12-20-26)23-15-7-3-8-16-23/h4,9-12,17-19,21-23H,2-3,5-8,13-16,20H2,1H3
InChIKeyLHBQKWWKMSJBOS-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.92
Rot. Bonds4

About 1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene

1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene (PubChem CID 150936186) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene.

Molecular Properties

Compound Name1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene
PubChem CID150936186
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene
SMILESCC(c1ccccc1C1CCCCC1)C1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C26H36/c1-21(24-17-9-10-18-25(24)22-13-5-2-6-14-22)26(19-11-4-12-20-26)23-15-7-3-8-16-23/h4,9-12,17-19,21-23H,2-3,5-8,13-16,20H2,1H3
InChIKeyLHBQKWWKMSJBOS-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene?
The IUPAC name of 1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene (CID 150936186) is 1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene.
What is the SMILES notation for 1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene?
The canonical SMILES for 1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene is CC(c1ccccc1C1CCCCC1)C1(C2CCCCC2)C=CC=CC1.
What is the InChIKey of 1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene?
The InChIKey is LHBQKWWKMSJBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-21(24-17-9-10-18-25(24)22-13-5-2-6-14-22)26(19-11-4-12-20-26)23-15-7-3-8-16-23/h4,9-12,17-19,21-23H,2-3,5-8,13-16,20H2,1H3.
What are the key properties of 1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene?
1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene has a molecular weight of 348.57 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[1-(1-cyclohexylcyclohexa-2,4-dien-1-yl)ethyl]benzene is sourced from PubChem (CID 150936186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).