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

C21H32 — CID 15319848

IUPAC2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene
SMILESCC(C)(C)C1=CC(C(C)(C)C2C=CC(C(C)(C)C)=C2)C=C1
InChIInChI=1S/C21H32/c1-19(2,3)15-9-11-17(13-15)21(7,8)18-12-10-16(14-18)20(4,5)6/h9-14,17-18H,1-8H3
InChIKeyAZSHEUBCDWKEKN-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.33
Rot. Bonds2

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

2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene (PubChem CID 15319848) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene
PubChem CID15319848
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene
SMILESCC(C)(C)C1=CC(C(C)(C)C2C=CC(C(C)(C)C)=C2)C=C1
InChIInChI=1S/C21H32/c1-19(2,3)15-9-11-17(13-15)21(7,8)18-12-10-16(14-18)20(4,5)6/h9-14,17-18H,1-8H3
InChIKeyAZSHEUBCDWKEKN-UHFFFAOYSA-N
XLogP6.33
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 ≤ 56.33
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-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene?
The IUPAC name of 2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene (CID 15319848) is 2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene.
What is the SMILES notation for 2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene?
The canonical SMILES for 2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene is CC(C)(C)C1=CC(C(C)(C)C2C=CC(C(C)(C)C)=C2)C=C1.
What is the InChIKey of 2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene?
The InChIKey is AZSHEUBCDWKEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-19(2,3)15-9-11-17(13-15)21(7,8)18-12-10-16(14-18)20(4,5)6/h9-14,17-18H,1-8H3.
What are the key properties of 2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene?
2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene has a molecular weight of 284.49 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]cyclopenta-1,3-diene is sourced from PubChem (CID 15319848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).