1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene

C18H26 — CID 153499449

IUPAC1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
SMILESCC(C)(C)C1=CCC(C2=CC=C(C(C)(C)C)C2)=C1
InChIInChI=1S/C18H26/c1-17(2,3)15-9-7-13(11-15)14-8-10-16(12-14)18(4,5)6/h7,9-10,12H,8,11H2,1-6H3
InChIKeyRKQYJPUXDOWQKF-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.59
Rot. Bonds1

About 1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene

1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene (PubChem CID 153499449) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
PubChem CID153499449
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
SMILESCC(C)(C)C1=CCC(C2=CC=C(C(C)(C)C)C2)=C1
InChIInChI=1S/C18H26/c1-17(2,3)15-9-7-13(11-15)14-8-10-16(12-14)18(4,5)6/h7,9-10,12H,8,11H2,1-6H3
InChIKeyRKQYJPUXDOWQKF-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene?
The IUPAC name of 1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene (CID 153499449) is 1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene is CC(C)(C)C1=CCC(C2=CC=C(C(C)(C)C)C2)=C1.
What is the InChIKey of 1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene?
The InChIKey is RKQYJPUXDOWQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-17(2,3)15-9-7-13(11-15)14-8-10-16(12-14)18(4,5)6/h7,9-10,12H,8,11H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene?
1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene has a molecular weight of 242.41 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 153499449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).