1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene

C17H22 — CID 59888325

IUPAC1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene
SMILESCC1=CCC(/C=C/C2=C(C)C(C)=C(C)C2)=C1C
InChIInChI=1S/C17H22/c1-11-6-7-16(14(11)4)8-9-17-10-12(2)13(3)15(17)5/h6,8-9H,7,10H2,1-5H3/b9-8+
InChIKeyPHVHEZXTFOUUAU-CMDGGOBGSA-N
MW226.36 g/mol
LogP5.27
Rot. Bonds2

About 1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene

1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene (PubChem CID 59888325) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene
PubChem CID59888325
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene
SMILESCC1=CCC(/C=C/C2=C(C)C(C)=C(C)C2)=C1C
InChIInChI=1S/C17H22/c1-11-6-7-16(14(11)4)8-9-17-10-12(2)13(3)15(17)5/h6,8-9H,7,10H2,1-5H3/b9-8+
InChIKeyPHVHEZXTFOUUAU-CMDGGOBGSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene?
The IUPAC name of 1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene (CID 59888325) is 1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene?
The canonical SMILES for 1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene is CC1=CCC(/C=C/C2=C(C)C(C)=C(C)C2)=C1C.
What is the InChIKey of 1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene?
The InChIKey is PHVHEZXTFOUUAU-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H22/c1-11-6-7-16(14(11)4)8-9-17-10-12(2)13(3)15(17)5/h6,8-9H,7,10H2,1-5H3/b9-8+.
What are the key properties of 1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene?
1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene has a molecular weight of 226.36 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethenyl]-2,3,4-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 59888325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).