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

C20H30 — CID 57179728

IUPAC2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
SMILESCC(C)(C)C1=CCC(C2C=CC(C(C)(C)C)=CC2)C=C1
InChIInChI=1S/C20H30/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7,9,11-16H,8,10H2,1-6H3
InChIKeyFUFRNHXGGNCYGH-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.08
Rot. Bonds1

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

2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 57179728) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
PubChem CID57179728
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
SMILESCC(C)(C)C1=CCC(C2C=CC(C(C)(C)C)=CC2)C=C1
InChIInChI=1S/C20H30/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7,9,11-16H,8,10H2,1-6H3
InChIKeyFUFRNHXGGNCYGH-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene (CID 57179728) is 2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene is CC(C)(C)C1=CCC(C2C=CC(C(C)(C)C)=CC2)C=C1.
What is the InChIKey of 2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is FUFRNHXGGNCYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7,9,11-16H,8,10H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene?
2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 270.46 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 57179728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).