1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene

C20H30 — CID 173219892

IUPAC1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(C(C)C2=C(C)C(C)=C(C)C2C)=C1C
InChIInChI=1S/C20H30/c1-10-11(2)15(6)19(14(10)5)18(9)20-16(7)12(3)13(4)17(20)8/h14,16,18H,1-9H3
InChIKeyAJOAQYONZZNURI-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.23
Rot. Bonds2

About 1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene

1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene (PubChem CID 173219892) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
PubChem CID173219892
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(C(C)C2=C(C)C(C)=C(C)C2C)=C1C
InChIInChI=1S/C20H30/c1-10-11(2)15(6)19(14(10)5)18(9)20-16(7)12(3)13(4)17(20)8/h14,16,18H,1-9H3
InChIKeyAJOAQYONZZNURI-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene (CID 173219892) is 1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene is CC1=C(C)C(C)C(C(C)C2=C(C)C(C)=C(C)C2C)=C1C.
What is the InChIKey of 1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene?
The InChIKey is AJOAQYONZZNURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-10-11(2)15(6)19(14(10)5)18(9)20-16(7)12(3)13(4)17(20)8/h14,16,18H,1-9H3.
What are the key properties of 1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene?
1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene has a molecular weight of 270.46 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene is sourced from PubChem (CID 173219892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).