(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene

C12H20 — CID 143371902

IUPAC(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene
SMILESCCC1(C)C/C=C\C/C=C\CC1
InChIInChI=1S/C12H20/c1-3-12(2)10-8-6-4-5-7-9-11-12/h4,6-7,9H,3,5,8,10-11H2,1-2H3/b6-4-,9-7-
InChIKeyOMBRAOQFTXMYFW-PJPBHMPJSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds1

About (1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene

(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene (PubChem CID 143371902) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene.

Molecular Properties

Compound Name(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene
PubChem CID143371902
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene
SMILESCCC1(C)C/C=C\C/C=C\CC1
InChIInChI=1S/C12H20/c1-3-12(2)10-8-6-4-5-7-9-11-12/h4,6-7,9H,3,5,8,10-11H2,1-2H3/b6-4-,9-7-
InChIKeyOMBRAOQFTXMYFW-PJPBHMPJSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
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 (1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene?
The IUPAC name of (1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene (CID 143371902) is (1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene.
What is the SMILES notation for (1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene?
The canonical SMILES for (1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene is CCC1(C)C/C=C\C/C=C\CC1.
What is the InChIKey of (1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene?
The InChIKey is OMBRAOQFTXMYFW-PJPBHMPJSA-N. The full InChI is InChI=1S/C12H20/c1-3-12(2)10-8-6-4-5-7-9-11-12/h4,6-7,9H,3,5,8,10-11H2,1-2H3/b6-4-,9-7-.
What are the key properties of (1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene?
(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene is sourced from PubChem (CID 143371902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).