8-ethyl-9-methyldodeca-4,5-diene

C15H28 — CID 123744069

IUPAC8-ethyl-9-methyldodeca-4,5-diene
SMILESCCCC=C=CCC(CC)C(C)CCC
InChIInChI=1S/C15H28/c1-5-8-9-10-11-13-15(7-3)14(4)12-6-2/h9,11,14-15H,5-8,12-13H2,1-4H3
InChIKeyWDRUWORHAHWVII-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.35
Rot. Bonds8

About 8-ethyl-9-methyldodeca-4,5-diene

8-ethyl-9-methyldodeca-4,5-diene (PubChem CID 123744069) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 8-ethyl-9-methyldodeca-4,5-diene.

Molecular Properties

Compound Name8-ethyl-9-methyldodeca-4,5-diene
PubChem CID123744069
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name8-ethyl-9-methyldodeca-4,5-diene
SMILESCCCC=C=CCC(CC)C(C)CCC
InChIInChI=1S/C15H28/c1-5-8-9-10-11-13-15(7-3)14(4)12-6-2/h9,11,14-15H,5-8,12-13H2,1-4H3
InChIKeyWDRUWORHAHWVII-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-methyldodeca-4,5-diene?
The IUPAC name of 8-ethyl-9-methyldodeca-4,5-diene (CID 123744069) is 8-ethyl-9-methyldodeca-4,5-diene.
What is the SMILES notation for 8-ethyl-9-methyldodeca-4,5-diene?
The canonical SMILES for 8-ethyl-9-methyldodeca-4,5-diene is CCCC=C=CCC(CC)C(C)CCC.
What is the InChIKey of 8-ethyl-9-methyldodeca-4,5-diene?
The InChIKey is WDRUWORHAHWVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-8-9-10-11-13-15(7-3)14(4)12-6-2/h9,11,14-15H,5-8,12-13H2,1-4H3.
What are the key properties of 8-ethyl-9-methyldodeca-4,5-diene?
8-ethyl-9-methyldodeca-4,5-diene has a molecular weight of 208.39 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-methyldodeca-4,5-diene is sourced from PubChem (CID 123744069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).