(8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene

C16H28 — CID 15646583

IUPAC(8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene
SMILESC=CC(C)(C/C=C/CCC)CCC=C(C)C
InChIInChI=1S/C16H28/c1-6-8-9-10-13-16(5,7-2)14-11-12-15(3)4/h7,9-10,12H,2,6,8,11,13-14H2,1,3-5H3/b10-9+
InChIKeyXGSLNEATPZBZMP-MDZDMXLPSA-N
MW220.40 g/mol
LogP5.67
Rot. Bonds8

About (8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene

(8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene (PubChem CID 15646583) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is (8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene.

Molecular Properties

Compound Name(8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene
PubChem CID15646583
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name(8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene
SMILESC=CC(C)(C/C=C/CCC)CCC=C(C)C
InChIInChI=1S/C16H28/c1-6-8-9-10-13-16(5,7-2)14-11-12-15(3)4/h7,9-10,12H,2,6,8,11,13-14H2,1,3-5H3/b10-9+
InChIKeyXGSLNEATPZBZMP-MDZDMXLPSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.67
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 (8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene?
The IUPAC name of (8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene (CID 15646583) is (8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene.
What is the SMILES notation for (8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene?
The canonical SMILES for (8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene is C=CC(C)(C/C=C/CCC)CCC=C(C)C.
What is the InChIKey of (8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene?
The InChIKey is XGSLNEATPZBZMP-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H28/c1-6-8-9-10-13-16(5,7-2)14-11-12-15(3)4/h7,9-10,12H,2,6,8,11,13-14H2,1,3-5H3/b10-9+.
What are the key properties of (8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene?
(8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene has a molecular weight of 220.40 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-6-ethenyl-2,6-dimethyldodeca-2,8-diene is sourced from PubChem (CID 15646583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).