3,3,6,6,9,9-hexamethyldeca-1,7-diene

C16H30 — CID 123209288

IUPAC3,3,6,6,9,9-hexamethyldeca-1,7-diene
SMILESC=CC(C)(C)CCC(C)(C)C=CC(C)(C)C
InChIInChI=1S/C16H30/c1-9-15(5,6)12-13-16(7,8)11-10-14(2,3)4/h9-11H,1,12-13H2,2-8H3
InChIKeyNEQUEHWHSPMSBF-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.61
Rot. Bonds5

About 3,3,6,6,9,9-hexamethyldeca-1,7-diene

3,3,6,6,9,9-hexamethyldeca-1,7-diene (PubChem CID 123209288) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 3,3,6,6,9,9-hexamethyldeca-1,7-diene.

Molecular Properties

Compound Name3,3,6,6,9,9-hexamethyldeca-1,7-diene
PubChem CID123209288
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name3,3,6,6,9,9-hexamethyldeca-1,7-diene
SMILESC=CC(C)(C)CCC(C)(C)C=CC(C)(C)C
InChIInChI=1S/C16H30/c1-9-15(5,6)12-13-16(7,8)11-10-14(2,3)4/h9-11H,1,12-13H2,2-8H3
InChIKeyNEQUEHWHSPMSBF-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3,6,6,9,9-hexamethyldeca-1,7-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
(4E)-3,3,6,6-tetramethylhepta-1,4-diene
CID 142855106
2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
3,3,6-trimethyloct-1-ene
CID 123906537
3,3-dimethylpent-1-ene;ethane
CID 142059460
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
3,3,6,7,8-pentamethylnon-1-ene
CID 123898570
3,3-dimethyl-7-nitrosohept-1-ene
CID 118650395
5,5-dimethylhept-6-en-2-imine
CID 146447391
butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162269346
azane;5,5-dimethylhept-6-en-2-imine
CID 146447390
CID 168724040
CID 168724040

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6,9,9-hexamethyldeca-1,7-diene?
The IUPAC name of 3,3,6,6,9,9-hexamethyldeca-1,7-diene (CID 123209288) is 3,3,6,6,9,9-hexamethyldeca-1,7-diene.
What is the SMILES notation for 3,3,6,6,9,9-hexamethyldeca-1,7-diene?
The canonical SMILES for 3,3,6,6,9,9-hexamethyldeca-1,7-diene is C=CC(C)(C)CCC(C)(C)C=CC(C)(C)C.
What is the InChIKey of 3,3,6,6,9,9-hexamethyldeca-1,7-diene?
The InChIKey is NEQUEHWHSPMSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-9-15(5,6)12-13-16(7,8)11-10-14(2,3)4/h9-11H,1,12-13H2,2-8H3.
What are the key properties of 3,3,6,6,9,9-hexamethyldeca-1,7-diene?
3,3,6,6,9,9-hexamethyldeca-1,7-diene has a molecular weight of 222.42 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6,9,9-hexamethyldeca-1,7-diene is sourced from PubChem (CID 123209288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).