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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Related Compounds

2-methylocta-3,4-diene
CID 123388869
4,5-diethyloctane
CID 519254
1-(7,8-dimethyldeca-3,4-dienyl)-2-methylhydrazine
CID 123787357
2-pentan-2-ylpropane-1,3-diol;2-pentan-3-ylpropane-1,3-diol
CID 174400202
6-methylnona-2,3-diene
CID 123230605
5-ethyl-2,2,6-trimethylnonane
CID 57492048
6-ethyl-2,5-dimethylnonane
CID 54499682
4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane
CID 142520741
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
(3R)-3,4-dimethylheptane
CID 59819300
6,7-dimethyldeca-3,4-diene
CID 123960916

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).