3-ethenyl-5-methylidenehepta-1,6-diene

C10H14 — CID 100997926

IUPAC3-ethenyl-5-methylidenehepta-1,6-diene
SMILESC=CC(=C)CC(C=C)C=C
InChIInChI=1S/C10H14/c1-5-9(4)8-10(6-2)7-3/h5-7,10H,1-4,8H2
InChIKeyCVGXUZAOQGWLDS-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.11
Rot. Bonds5

About 3-ethenyl-5-methylidenehepta-1,6-diene

3-ethenyl-5-methylidenehepta-1,6-diene (PubChem CID 100997926) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-ethenyl-5-methylidenehepta-1,6-diene.

Molecular Properties

Compound Name3-ethenyl-5-methylidenehepta-1,6-diene
PubChem CID100997926
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3-ethenyl-5-methylidenehepta-1,6-diene
SMILESC=CC(=C)CC(C=C)C=C
InChIInChI=1S/C10H14/c1-5-9(4)8-10(6-2)7-3/h5-7,10H,1-4,8H2
InChIKeyCVGXUZAOQGWLDS-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.11
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-ethenyl-5-methylidenehepta-1,6-diene?
The IUPAC name of 3-ethenyl-5-methylidenehepta-1,6-diene (CID 100997926) is 3-ethenyl-5-methylidenehepta-1,6-diene.
What is the SMILES notation for 3-ethenyl-5-methylidenehepta-1,6-diene?
The canonical SMILES for 3-ethenyl-5-methylidenehepta-1,6-diene is C=CC(=C)CC(C=C)C=C.
What is the InChIKey of 3-ethenyl-5-methylidenehepta-1,6-diene?
The InChIKey is CVGXUZAOQGWLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-5-9(4)8-10(6-2)7-3/h5-7,10H,1-4,8H2.
What are the key properties of 3-ethenyl-5-methylidenehepta-1,6-diene?
3-ethenyl-5-methylidenehepta-1,6-diene has a molecular weight of 134.22 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methylidenehepta-1,6-diene is sourced from PubChem (CID 100997926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).