1-ethenyl-2-hexa-1,3-dienylcyclopropane

C11H16 — CID 556411

IUPAC1-ethenyl-2-hexa-1,3-dienylcyclopropane
SMILESC=CC1CC1C=CC=CCC
InChIInChI=1S/C11H16/c1-3-5-6-7-8-11-9-10(11)4-2/h4-8,10-11H,2-3,9H2,1H3
InChIKeyIUJUNEVKAIOLIM-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.33
Rot. Bonds4

About 1-ethenyl-2-hexa-1,3-dienylcyclopropane

1-ethenyl-2-hexa-1,3-dienylcyclopropane (PubChem CID 556411) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-ethenyl-2-hexa-1,3-dienylcyclopropane.

Molecular Properties

Compound Name1-ethenyl-2-hexa-1,3-dienylcyclopropane
PubChem CID556411
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-ethenyl-2-hexa-1,3-dienylcyclopropane
SMILESC=CC1CC1C=CC=CCC
InChIInChI=1S/C11H16/c1-3-5-6-7-8-11-9-10(11)4-2/h4-8,10-11H,2-3,9H2,1H3
InChIKeyIUJUNEVKAIOLIM-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.33
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 1-ethenyl-2-hexa-1,3-dienylcyclopropane?
The IUPAC name of 1-ethenyl-2-hexa-1,3-dienylcyclopropane (CID 556411) is 1-ethenyl-2-hexa-1,3-dienylcyclopropane.
What is the SMILES notation for 1-ethenyl-2-hexa-1,3-dienylcyclopropane?
The canonical SMILES for 1-ethenyl-2-hexa-1,3-dienylcyclopropane is C=CC1CC1C=CC=CCC.
What is the InChIKey of 1-ethenyl-2-hexa-1,3-dienylcyclopropane?
The InChIKey is IUJUNEVKAIOLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-3-5-6-7-8-11-9-10(11)4-2/h4-8,10-11H,2-3,9H2,1H3.
What are the key properties of 1-ethenyl-2-hexa-1,3-dienylcyclopropane?
1-ethenyl-2-hexa-1,3-dienylcyclopropane has a molecular weight of 148.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-hexa-1,3-dienylcyclopropane is sourced from PubChem (CID 556411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).