5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene

C14H10 — CID 12057628

IUPAC5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene
SMILESC(C#CC1C=CC=C1)#CC1C=CC=C1
InChIInChI=1S/C14H10/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-4,7-10,13-14H
InChIKeyRLFQADJURHWXPT-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.48
Rot. Bonds

About 5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene

5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene (PubChem CID 12057628) has the molecular formula C14H10 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene
PubChem CID12057628
Molecular FormulaC14H10
Molecular Weight178.23 g/mol
Exact Mass178.08
IUPAC Name5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene
SMILESC(C#CC1C=CC=C1)#CC1C=CC=C1
InChIInChI=1S/C14H10/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-4,7-10,13-14H
InChIKeyRLFQADJURHWXPT-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
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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Related Compounds

1,3-Cyclopentadiene, 5-ethynyl-
CID 11985231
7-Ethynylcyclohepta-1,3,5-triene
CID 12955905
6-(Cyclopropylethynyl)fulvene
CID 13452202
CID 134888701
CID 134888701
(6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene
CID 134994892
(5Z)-5-ethenylnona-1,5,8-trien-3-yne
CID 146167076
(3Z)-5-methylhepta-1,3-dien-6-yne
CID 142224471
5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene
CID 15471969
5-Propa-1,2-dienylcyclopenta-1,3-diene
CID 15802793
2-Prop-1-ynylcyclopenta-1,3-diene
CID 20777511
5,5'-(Ethene-1,2-diyl)di(cyclopenta-1,3-diene)
CID 71403720
2-But-1-ynylcyclopenta-1,3-diene
CID 90728546

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene (CID 12057628) is 5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene is C(C#CC1C=CC=C1)#CC1C=CC=C1.
What is the InChIKey of 5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene?
The InChIKey is RLFQADJURHWXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-4,7-10,13-14H.
What are the key properties of 5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene?
5-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene has a molecular weight of 178.23 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-(4-cyclopenta-2,4-dien-1-ylbuta-1,3-diynyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12057628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).