5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene

C13H18 — CID 143194687

IUPAC5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene
SMILESC/C=C\C=C(\C)CC1C=CC=CC1
InChIInChI=1S/C13H18/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3-9,13H,10-11H2,1-2H3/b4-3-,12-8-
InChIKeyJUIXCFYVMGSNFS-QISPATLQSA-N
MW174.29 g/mol
LogP4.03
Rot. Bonds3

About 5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene

5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene (PubChem CID 143194687) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene
PubChem CID143194687
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene
SMILESC/C=C\C=C(\C)CC1C=CC=CC1
InChIInChI=1S/C13H18/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3-9,13H,10-11H2,1-2H3/b4-3-,12-8-
InChIKeyJUIXCFYVMGSNFS-QISPATLQSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.03
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

5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbutan-2-one
CID 12828212
2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide
CID 54481215
5-[(E)-2,2-dimethylpent-3-enyl]cyclohexa-1,3-diene
CID 164675018
5-propylcyclohexa-1,3-diene
CID 13212987
5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene
CID 163780403
3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine
CID 129144726
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
CID 143896906
1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
CID 153348413
N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine
CID 90695649
(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol
CID 10559238

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene?
The IUPAC name of 5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene (CID 143194687) is 5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene is C/C=C\C=C(\C)CC1C=CC=CC1.
What is the InChIKey of 5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene?
The InChIKey is JUIXCFYVMGSNFS-QISPATLQSA-N. The full InChI is InChI=1S/C13H18/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3-9,13H,10-11H2,1-2H3/b4-3-,12-8-.
What are the key properties of 5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene?
5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene has a molecular weight of 174.29 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene is sourced from PubChem (CID 143194687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).