3,6-ditert-butylcyclohexa-1,4-diene

C14H24 — CID 13283199

IUPAC3,6-ditert-butylcyclohexa-1,4-diene
SMILESCC(C)(C)C1C=CC(C(C)(C)C)C=C1
InChIInChI=1S/C14H24/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-12H,1-6H3
InChIKeyZOXPEVJJAJMVAU-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.44
Rot. Bonds

About 3,6-ditert-butylcyclohexa-1,4-diene

3,6-ditert-butylcyclohexa-1,4-diene (PubChem CID 13283199) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 3,6-ditert-butylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3,6-ditert-butylcyclohexa-1,4-diene
PubChem CID13283199
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name3,6-ditert-butylcyclohexa-1,4-diene
SMILESCC(C)(C)C1C=CC(C(C)(C)C)C=C1
InChIInChI=1S/C14H24/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-12H,1-6H3
InChIKeyZOXPEVJJAJMVAU-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.44
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 3,6-ditert-butylcyclohexa-1,4-diene?
The IUPAC name of 3,6-ditert-butylcyclohexa-1,4-diene (CID 13283199) is 3,6-ditert-butylcyclohexa-1,4-diene.
What is the SMILES notation for 3,6-ditert-butylcyclohexa-1,4-diene?
The canonical SMILES for 3,6-ditert-butylcyclohexa-1,4-diene is CC(C)(C)C1C=CC(C(C)(C)C)C=C1.
What is the InChIKey of 3,6-ditert-butylcyclohexa-1,4-diene?
The InChIKey is ZOXPEVJJAJMVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-12H,1-6H3.
What are the key properties of 3,6-ditert-butylcyclohexa-1,4-diene?
3,6-ditert-butylcyclohexa-1,4-diene has a molecular weight of 192.35 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butylcyclohexa-1,4-diene is sourced from PubChem (CID 13283199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).