5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene

C18H26 — CID 91527415

IUPAC5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene
SMILESCC(C)(C)C1C=CC(CCC2C=CC=CC2)=CC1
InChIInChI=1S/C18H26/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-7,11-13,15,17H,8-10,14H2,1-3H3
InChIKeyIBGBPZVVALKMJE-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.45
Rot. Bonds3

About 5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene

5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene (PubChem CID 91527415) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene
PubChem CID91527415
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene
SMILESCC(C)(C)C1C=CC(CCC2C=CC=CC2)=CC1
InChIInChI=1S/C18H26/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-7,11-13,15,17H,8-10,14H2,1-3H3
InChIKeyIBGBPZVVALKMJE-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene (CID 91527415) is 5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene is CC(C)(C)C1C=CC(CCC2C=CC=CC2)=CC1.
What is the InChIKey of 5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene?
The InChIKey is IBGBPZVVALKMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-7,11-13,15,17H,8-10,14H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene?
5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene has a molecular weight of 242.41 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-cyclohexa-2,4-dien-1-ylethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 91527415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).