2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene

C18H26 — CID 134897818

IUPAC2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene
SMILESCC(C)(C)C1=CC(C2C=CC(C(C)(C)C)=C2)C=C1
InChIInChI=1S/C18H26/c1-17(2,3)15-9-7-13(11-15)14-8-10-16(12-14)18(4,5)6/h7-14H,1-6H3
InChIKeyONTMWHZNNKEOJU-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.30
Rot. Bonds1

About 2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene

2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene (PubChem CID 134897818) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene
PubChem CID134897818
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene
SMILESCC(C)(C)C1=CC(C2C=CC(C(C)(C)C)=C2)C=C1
InChIInChI=1S/C18H26/c1-17(2,3)15-9-7-13(11-15)14-8-10-16(12-14)18(4,5)6/h7-14H,1-6H3
InChIKeyONTMWHZNNKEOJU-UHFFFAOYSA-N
XLogP5.30
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 ≤ 55.30
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-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene?
The IUPAC name of 2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene (CID 134897818) is 2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene?
The canonical SMILES for 2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene is CC(C)(C)C1=CC(C2C=CC(C(C)(C)C)=C2)C=C1.
What is the InChIKey of 2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene?
The InChIKey is ONTMWHZNNKEOJU-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/h7-14H,1-6H3.
What are the key properties of 2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene?
2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene has a molecular weight of 242.41 g/mol, XLogP of 5.30, 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-(3-tert-butylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 134897818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).