1-hexa-3,5-dienyl-3,5-dimethylbenzene

C14H18 — CID 173174881

IUPAC1-hexa-3,5-dienyl-3,5-dimethylbenzene
SMILESC=CC=CCCc1cc(C)cc(C)c1
InChIInChI=1S/C14H18/c1-4-5-6-7-8-14-10-12(2)9-13(3)11-14/h4-6,9-11H,1,7-8H2,2-3H3
InChIKeySDKOZXOLUQTZOQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.98
Rot. Bonds4

About 1-hexa-3,5-dienyl-3,5-dimethylbenzene

1-hexa-3,5-dienyl-3,5-dimethylbenzene (PubChem CID 173174881) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-hexa-3,5-dienyl-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-hexa-3,5-dienyl-3,5-dimethylbenzene
PubChem CID173174881
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-hexa-3,5-dienyl-3,5-dimethylbenzene
SMILESC=CC=CCCc1cc(C)cc(C)c1
InChIInChI=1S/C14H18/c1-4-5-6-7-8-14-10-12(2)9-13(3)11-14/h4-6,9-11H,1,7-8H2,2-3H3
InChIKeySDKOZXOLUQTZOQ-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexa-3,5-dienyl-3,5-dimethylbenzene?
The IUPAC name of 1-hexa-3,5-dienyl-3,5-dimethylbenzene (CID 173174881) is 1-hexa-3,5-dienyl-3,5-dimethylbenzene.
What is the SMILES notation for 1-hexa-3,5-dienyl-3,5-dimethylbenzene?
The canonical SMILES for 1-hexa-3,5-dienyl-3,5-dimethylbenzene is C=CC=CCCc1cc(C)cc(C)c1.
What is the InChIKey of 1-hexa-3,5-dienyl-3,5-dimethylbenzene?
The InChIKey is SDKOZXOLUQTZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-4-5-6-7-8-14-10-12(2)9-13(3)11-14/h4-6,9-11H,1,7-8H2,2-3H3.
What are the key properties of 1-hexa-3,5-dienyl-3,5-dimethylbenzene?
1-hexa-3,5-dienyl-3,5-dimethylbenzene has a molecular weight of 186.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-3,5-dienyl-3,5-dimethylbenzene is sourced from PubChem (CID 173174881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).