3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene

C14H14 — CID 18343923

IUPAC3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene
SMILESC1=CCC=CC(/C=C/C2=CC=CC2)=C1
InChIInChI=1S/C14H14/c1-2-4-8-13(7-3-1)11-12-14-9-5-6-10-14/h1,3-9,11-12H,2,10H2/b12-11+
InChIKeyYMEBNYTVFXAMIX-VAWYXSNFSA-N
MW182.27 g/mol
LogP3.87
Rot. Bonds2

About 3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene

3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene (PubChem CID 18343923) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene
PubChem CID18343923
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene
SMILESC1=CCC=CC(/C=C/C2=CC=CC2)=C1
InChIInChI=1S/C14H14/c1-2-4-8-13(7-3-1)11-12-14-9-5-6-10-14/h1,3-9,11-12H,2,10H2/b12-11+
InChIKeyYMEBNYTVFXAMIX-VAWYXSNFSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene?
The IUPAC name of 3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene (CID 18343923) is 3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene.
What is the SMILES notation for 3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene?
The canonical SMILES for 3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene is C1=CCC=CC(/C=C/C2=CC=CC2)=C1.
What is the InChIKey of 3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene?
The InChIKey is YMEBNYTVFXAMIX-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H14/c1-2-4-8-13(7-3-1)11-12-14-9-5-6-10-14/h1,3-9,11-12H,2,10H2/b12-11+.
What are the key properties of 3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene?
3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene has a molecular weight of 182.27 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 18343923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).