4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene

C21H32 — CID 22117985

IUPAC4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene
SMILESCC1=C(CC2=C(C)C=C(C(C)(C)C)C2)CC(C(C)(C)C)=C1
InChIInChI=1S/C21H32/c1-14-9-18(20(3,4)5)12-16(14)11-17-13-19(10-15(17)2)21(6,7)8/h9-10H,11-13H2,1-8H3
InChIKeyUHRHARZIJRXVMH-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.76
Rot. Bonds2

About 4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene

4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene (PubChem CID 22117985) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene
PubChem CID22117985
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene
SMILESCC1=C(CC2=C(C)C=C(C(C)(C)C)C2)CC(C(C)(C)C)=C1
InChIInChI=1S/C21H32/c1-14-9-18(20(3,4)5)12-16(14)11-17-13-19(10-15(17)2)21(6,7)8/h9-10H,11-13H2,1-8H3
InChIKeyUHRHARZIJRXVMH-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene?
The IUPAC name of 4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene (CID 22117985) is 4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene.
What is the SMILES notation for 4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene?
The canonical SMILES for 4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene is CC1=C(CC2=C(C)C=C(C(C)(C)C)C2)CC(C(C)(C)C)=C1.
What is the InChIKey of 4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene?
The InChIKey is UHRHARZIJRXVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-14-9-18(20(3,4)5)12-16(14)11-17-13-19(10-15(17)2)21(6,7)8/h9-10H,11-13H2,1-8H3.
What are the key properties of 4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene?
4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene has a molecular weight of 284.49 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)methyl]-2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 22117985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).