cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene

C21H42 — CID 91116862

IUPACcyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene
SMILESC1=CCC=C1.CC.CC.CC.CC.CCC1(C)C=CC=C1
InChIInChI=1S/C8H12.C5H6.4C2H6/c1-3-8(2)6-4-5-7-8;1-2-4-5-3-1;4*1-2/h4-7H,3H2,1-2H3;1-4H,5H2;4*1-2H3
InChIKeyMILUXMBMZLMIKE-UHFFFAOYSA-N
MW294.57 g/mol
LogP8.14
Rot. Bonds1

About cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene

cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene (PubChem CID 91116862) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene
PubChem CID91116862
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Namecyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene
SMILESC1=CCC=C1.CC.CC.CC.CC.CCC1(C)C=CC=C1
InChIInChI=1S/C8H12.C5H6.4C2H6/c1-3-8(2)6-4-5-7-8;1-2-4-5-3-1;4*1-2/h4-7H,3H2,1-2H3;1-4H,5H2;4*1-2H3
InChIKeyMILUXMBMZLMIKE-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene (CID 91116862) is cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene is C1=CCC=C1.CC.CC.CC.CC.CCC1(C)C=CC=C1.
What is the InChIKey of cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene?
The InChIKey is MILUXMBMZLMIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C5H6.4C2H6/c1-3-8(2)6-4-5-7-8;1-2-4-5-3-1;4*1-2/h4-7H,3H2,1-2H3;1-4H,5H2;4*1-2H3.
What are the key properties of cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene?
cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene has a molecular weight of 294.57 g/mol, XLogP of 8.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene is sourced from PubChem (CID 91116862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).