5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene

C16H10 — CID 15823564

IUPAC5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene
SMILESC(#CC#CC1C=CC=C1)C#CC1C=CC=C1
InChIInChI=1S/C16H10/c1(3-9-15-11-5-6-12-15)2-4-10-16-13-7-8-14-16/h5-8,11-16H
InChIKeyLSWPKZFYLFMONJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.48
Rot. Bonds

About 5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene

5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene (PubChem CID 15823564) has the molecular formula C16H10 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene
PubChem CID15823564
Molecular FormulaC16H10
Molecular Weight202.26 g/mol
Exact Mass202.08
IUPAC Name5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene
SMILESC(#CC#CC1C=CC=C1)C#CC1C=CC=C1
InChIInChI=1S/C16H10/c1(3-9-15-11-5-6-12-15)2-4-10-16-13-7-8-14-16/h5-8,11-16H
InChIKeyLSWPKZFYLFMONJ-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene (CID 15823564) is 5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene is C(#CC#CC1C=CC=C1)C#CC1C=CC=C1.
What is the InChIKey of 5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene?
The InChIKey is LSWPKZFYLFMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10/c1(3-9-15-11-5-6-12-15)2-4-10-16-13-7-8-14-16/h5-8,11-16H.
What are the key properties of 5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene?
5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene has a molecular weight of 202.26 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclopenta-2,4-dien-1-ylhexa-1,3,5-triynyl)cyclopenta-1,3-diene is sourced from PubChem (CID 15823564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).