6-ethenyl-6-methyldodeca-1,9-diene

C15H26 — CID 54105098

IUPAC6-ethenyl-6-methyldodeca-1,9-diene
SMILESC=CCCCC(C)(C=C)CCC=CCC
InChIInChI=1S/C15H26/c1-5-8-10-12-14-15(4,7-3)13-11-9-6-2/h6-8,10H,2-3,5,9,11-14H2,1,4H3
InChIKeyNDERKWUODXTYIG-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.28
Rot. Bonds9

About 6-ethenyl-6-methyldodeca-1,9-diene

6-ethenyl-6-methyldodeca-1,9-diene (PubChem CID 54105098) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 6-ethenyl-6-methyldodeca-1,9-diene.

Molecular Properties

Compound Name6-ethenyl-6-methyldodeca-1,9-diene
PubChem CID54105098
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name6-ethenyl-6-methyldodeca-1,9-diene
SMILESC=CCCCC(C)(C=C)CCC=CCC
InChIInChI=1S/C15H26/c1-5-8-10-12-14-15(4,7-3)13-11-9-6-2/h6-8,10H,2-3,5,9,11-14H2,1,4H3
InChIKeyNDERKWUODXTYIG-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trideca-1,10-diene
CID 54351837
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CID 175164046
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
hexadeca-1,5,13-triene
CID 174048718
but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene
CID 173073826
(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene
CID 140672812
dimethyl 2-[(E)-pent-2-enyl]-2-pent-4-enylpropanedioate
CID 132916406
(Z)-dec-5-ene;hex-1-ene
CID 141304086
3-(bromomethyl)-3-methylhepta-1,6-diene
CID 165447101
2,2-dimethyloct-5-enamide
CID 174985624
ethene;(Z)-hept-3-ene
CID 142517945
6-(chloromethyl)-6-methyloct-1-ene
CID 165446977

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-6-methyldodeca-1,9-diene?
The IUPAC name of 6-ethenyl-6-methyldodeca-1,9-diene (CID 54105098) is 6-ethenyl-6-methyldodeca-1,9-diene.
What is the SMILES notation for 6-ethenyl-6-methyldodeca-1,9-diene?
The canonical SMILES for 6-ethenyl-6-methyldodeca-1,9-diene is C=CCCCC(C)(C=C)CCC=CCC.
What is the InChIKey of 6-ethenyl-6-methyldodeca-1,9-diene?
The InChIKey is NDERKWUODXTYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-5-8-10-12-14-15(4,7-3)13-11-9-6-2/h6-8,10H,2-3,5,9,11-14H2,1,4H3.
What are the key properties of 6-ethenyl-6-methyldodeca-1,9-diene?
6-ethenyl-6-methyldodeca-1,9-diene has a molecular weight of 206.37 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-6-methyldodeca-1,9-diene is sourced from PubChem (CID 54105098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).