5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene

C11H14 — CID 143896906

IUPAC5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
SMILESC/C=C\C=CC1C=CC=CC1
InChIInChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2-9,11H,10H2,1H3/b3-2-,8-5?
InChIKeyYMVFVKSYWNEUCC-GZQNCEGOSA-N
MW146.23 g/mol
LogP3.25
Rot. Bonds2

About 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene

5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene (PubChem CID 143896906) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
PubChem CID143896906
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
SMILESC/C=C\C=CC1C=CC=CC1
InChIInChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2-9,11H,10H2,1H3/b3-2-,8-5?
InChIKeyYMVFVKSYWNEUCC-GZQNCEGOSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.25
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

(3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one
CID 134873879
5-(2-nitroethenyl)cyclohexa-1,3-diene
CID 70035465
(3R)-3-[(1E,3E)-penta-1,3-dienyl]cyclohexene
CID 101128048
2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene
CID 123434042
5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene
CID 143194687
acetic acid;3-cyclohexa-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 175178095
5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene
CID 140938366
1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one
CID 67783386
methyl (Z)-3-[(1S)-cyclohexa-2,4-dien-1-yl]-2-methylprop-2-enoate
CID 102465359
(4E)-hexa-2,4-diene
CID 22435466
methane;5-pent-3-en-2-ylcyclohexa-1,3-diene;propane
CID 144517685
5-[(E)-2,2-dimethylpent-3-enyl]cyclohexa-1,3-diene
CID 164675018

Frequently Asked Questions

What is the IUPAC name of 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene?
The IUPAC name of 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene (CID 143896906) is 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene is C/C=C\C=CC1C=CC=CC1.
What is the InChIKey of 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene?
The InChIKey is YMVFVKSYWNEUCC-GZQNCEGOSA-N. The full InChI is InChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2-9,11H,10H2,1H3/b3-2-,8-5?.
What are the key properties of 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene?
5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene has a molecular weight of 146.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene is sourced from PubChem (CID 143896906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).