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

C18H24 — CID 13040099

IUPAC(5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
SMILESCC(C)(C)C1=C/C(=C2\C=CC(C(C)(C)C)=C2)C=C1
InChIInChI=1S/C18H24/c1-17(2,3)15-9-7-13(11-15)14-8-10-16(12-14)18(4,5)6/h7-12H,1-6H3/b14-13+
InChIKeyWPKRUDRMDXRASU-BUHFOSPRSA-N
MW240.39 g/mol
LogP5.37
Rot. Bonds

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

(5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene (PubChem CID 13040099) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is (5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene.

Molecular Properties

Compound Name(5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
PubChem CID13040099
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name(5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
SMILESCC(C)(C)C1=C/C(=C2\C=CC(C(C)(C)C)=C2)C=C1
InChIInChI=1S/C18H24/c1-17(2,3)15-9-7-13(11-15)14-8-10-16(12-14)18(4,5)6/h7-12H,1-6H3/b14-13+
InChIKeyWPKRUDRMDXRASU-BUHFOSPRSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene with MolForge

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Related Compounds

(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine
CID 134897947
2,4-ditert-butyl-7,7-dimethylcyclohepta-1,3,5-triene
CID 546588
4-tert-butyl-1-hydroxythiopyran-2-amine
CID 163803881
benzhydryl-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)phosphane
CID 89403313
(6Z)-6-[(Z)-but-2-enylidene]-3-tert-butyl-N-methylcyclohexa-2,4-dien-1-imine
CID 126639128
(6Z)-3-tert-butyl-6-(2-methyliminoethylidene)cyclohexa-2,4-dien-1-imine
CID 134460644
(6E)-4-tert-butyl-6-(phenylhydrazinylidene)cyclohexa-2,4-dien-1-one
CID 10988828
1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene
CID 11269169
2-[2,3-dimethyl-3-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)butan-2-yl]-5-propan-2-ylidenecyclopenta-1,3-diene
CID 14939026
2-tert-butyl-5-iodo-5-methylcyclopenta-1,3-diene
CID 134354765
2-tert-butylcyclohexa-1,3-diene;phosphane
CID 159538716
CID 11763292
CID 11763292

Frequently Asked Questions

What is the IUPAC name of (5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene?
The IUPAC name of (5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene (CID 13040099) is (5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene.
What is the SMILES notation for (5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene?
The canonical SMILES for (5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene is CC(C)(C)C1=C/C(=C2\C=CC(C(C)(C)C)=C2)C=C1.
What is the InChIKey of (5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene?
The InChIKey is WPKRUDRMDXRASU-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H24/c1-17(2,3)15-9-7-13(11-15)14-8-10-16(12-14)18(4,5)6/h7-12H,1-6H3/b14-13+.
What are the key properties of (5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene?
(5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene has a molecular weight of 240.39 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene is sourced from PubChem (CID 13040099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).