1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene

C14H14 — CID 20782079

IUPAC1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
SMILESC=CC=CC1=CC=C(C2=CC=CC2)C1
InChIInChI=1S/C14H14/c1-2-3-6-12-9-10-14(11-12)13-7-4-5-8-13/h2-7,9-10H,1,8,11H2
InChIKeyYJCQDBONPICRGW-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.87
Rot. Bonds3

About 1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene

1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene (PubChem CID 20782079) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
PubChem CID20782079
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
SMILESC=CC=CC1=CC=C(C2=CC=CC2)C1
InChIInChI=1S/C14H14/c1-2-3-6-12-9-10-14(11-12)13-7-4-5-8-13/h2-7,9-10H,1,8,11H2
InChIKeyYJCQDBONPICRGW-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hexa-1,4-diene
CID 174908546
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;bis(2-methylprop-2-enoic acid)
CID 174976084
2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole
CID 174632748
2,7-bis[4-(4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]-3,8-dihydroindolo[6,5-f]indole
CID 170373330
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
1,4-bis[(E)-prop-1-enyl]cyclopenta-1,3-diene
CID 59289880
2-[(1Z)-buta-1,3-dienyl]-4-ethyl-8,8a-dihydro-4H-thiochromene
CID 166865845
2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
CID 102081594

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene?
The IUPAC name of 1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene (CID 20782079) is 1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene.
What is the SMILES notation for 1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene?
The canonical SMILES for 1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene is C=CC=CC1=CC=C(C2=CC=CC2)C1.
What is the InChIKey of 1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene?
The InChIKey is YJCQDBONPICRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-2-3-6-12-9-10-14(11-12)13-7-4-5-8-13/h2-7,9-10H,1,8,11H2.
What are the key properties of 1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene?
1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene has a molecular weight of 182.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dienyl-4-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene is sourced from PubChem (CID 20782079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).