1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene

C16H22 — CID 18996424

IUPAC1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCCC1(C)C(C)=C(C)C(C)=C1C1=CCC=C1
InChIInChI=1S/C16H22/c1-6-16(5)13(4)11(2)12(3)15(16)14-9-7-8-10-14/h7,9-10H,6,8H2,1-5H3
InChIKeyLCHHQXUMFBEFRY-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.96
Rot. Bonds2

About 1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene

1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene (PubChem CID 18996424) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene
PubChem CID18996424
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCCC1(C)C(C)=C(C)C(C)=C1C1=CCC=C1
InChIInChI=1S/C16H22/c1-6-16(5)13(4)11(2)12(3)15(16)14-9-7-8-10-14/h7,9-10H,6,8H2,1-5H3
InChIKeyLCHHQXUMFBEFRY-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene (CID 18996424) is 1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene is CCC1(C)C(C)=C(C)C(C)=C1C1=CCC=C1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is LCHHQXUMFBEFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-6-16(5)13(4)11(2)12(3)15(16)14-9-7-8-10-14/h7,9-10H,6,8H2,1-5H3.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene?
1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 214.35 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-5-ethyl-2,3,4,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 18996424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).