4-ethylidenedeca-1,7-diene

C12H20 — CID 72650230

IUPAC4-ethylidenedeca-1,7-diene
SMILESC=CCC(=CC)CCC=CCC
InChIInChI=1S/C12H20/c1-4-7-8-9-11-12(6-3)10-5-2/h5-8H,2,4,9-11H2,1,3H3
InChIKeyJGPKINKHPDOATP-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds6

About 4-ethylidenedeca-1,7-diene

4-ethylidenedeca-1,7-diene (PubChem CID 72650230) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-ethylidenedeca-1,7-diene.

Molecular Properties

Compound Name4-ethylidenedeca-1,7-diene
PubChem CID72650230
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-ethylidenedeca-1,7-diene
SMILESC=CCC(=CC)CCC=CCC
InChIInChI=1S/C12H20/c1-4-7-8-9-11-12(6-3)10-5-2/h5-8H,2,4,9-11H2,1,3H3
InChIKeyJGPKINKHPDOATP-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylidenedeca-1,7-diene?
The IUPAC name of 4-ethylidenedeca-1,7-diene (CID 72650230) is 4-ethylidenedeca-1,7-diene.
What is the SMILES notation for 4-ethylidenedeca-1,7-diene?
The canonical SMILES for 4-ethylidenedeca-1,7-diene is C=CCC(=CC)CCC=CCC.
What is the InChIKey of 4-ethylidenedeca-1,7-diene?
The InChIKey is JGPKINKHPDOATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-7-8-9-11-12(6-3)10-5-2/h5-8H,2,4,9-11H2,1,3H3.
What are the key properties of 4-ethylidenedeca-1,7-diene?
4-ethylidenedeca-1,7-diene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidenedeca-1,7-diene is sourced from PubChem (CID 72650230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).