3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene

C20H24 — CID 143323354

IUPAC3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene
SMILESC=C/C=C\C1=C(/C(=C\C)CC)C(C=C)C(C=C)=C1C=C
InChIInChI=1S/C20H24/c1-7-13-14-19-17(11-5)16(10-4)18(12-6)20(19)15(8-2)9-3/h7-8,10-14,18H,1,4-6,9H2,2-3H3/b14-13-,15-8-
InChIKeyOQBGFLFAIKUTKN-BAEHMUKLSA-N
MW264.41 g/mol
LogP5.87
Rot. Bonds7

About 3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene

3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene (PubChem CID 143323354) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene
PubChem CID143323354
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene
SMILESC=C/C=C\C1=C(/C(=C\C)CC)C(C=C)C(C=C)=C1C=C
InChIInChI=1S/C20H24/c1-7-13-14-19-17(11-5)16(10-4)18(12-6)20(19)15(8-2)9-3/h7-8,10-14,18H,1,4-6,9H2,2-3H3/b14-13-,15-8-
InChIKeyOQBGFLFAIKUTKN-BAEHMUKLSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene (CID 143323354) is 3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene is C=C/C=C\C1=C(/C(=C\C)CC)C(C=C)C(C=C)=C1C=C.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene?
The InChIKey is OQBGFLFAIKUTKN-BAEHMUKLSA-N. The full InChI is InChI=1S/C20H24/c1-7-13-14-19-17(11-5)16(10-4)18(12-6)20(19)15(8-2)9-3/h7-8,10-14,18H,1,4-6,9H2,2-3H3/b14-13-,15-8-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene?
3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene has a molecular weight of 264.41 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-1,2,5-tris(ethenyl)-4-[(Z)-pent-2-en-3-yl]cyclopenta-1,3-diene is sourced from PubChem (CID 143323354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).