4,8,12,12-tetramethylcyclododeca-1,4,8-triene

C16H26 — CID 162881187

IUPAC4,8,12,12-tetramethylcyclododeca-1,4,8-triene
SMILESCC1=CCCC(C)=CCCC(C)(C)C=CC1
InChIInChI=1S/C16H26/c1-14-8-5-9-15(2)11-7-13-16(3,4)12-6-10-14/h6,8,11-12H,5,7,9-10,13H2,1-4H3
InChIKeyQNQINECMNZQLPK-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.43
Rot. Bonds

About 4,8,12,12-tetramethylcyclododeca-1,4,8-triene

4,8,12,12-tetramethylcyclododeca-1,4,8-triene (PubChem CID 162881187) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 4,8,12,12-tetramethylcyclododeca-1,4,8-triene.

Molecular Properties

Compound Name4,8,12,12-tetramethylcyclododeca-1,4,8-triene
PubChem CID162881187
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name4,8,12,12-tetramethylcyclododeca-1,4,8-triene
SMILESCC1=CCCC(C)=CCCC(C)(C)C=CC1
InChIInChI=1S/C16H26/c1-14-8-5-9-15(2)11-7-13-16(3,4)12-6-10-14/h6,8,11-12H,5,7,9-10,13H2,1-4H3
InChIKeyQNQINECMNZQLPK-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
Dihydromyrcene, (-)-
CID 10997105
2-Isopropyl-1,4-hexadiene
CID 6429324
3,5,5-Trimethyl-2-hexene
CID 5365055
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene
CID 6508206
Pentene, 2,4,4-trimethyl-
CID 102601787
5,7-Dimethylocta-1,6-diene
CID 280943

Frequently Asked Questions

What is the IUPAC name of 4,8,12,12-tetramethylcyclododeca-1,4,8-triene?
The IUPAC name of 4,8,12,12-tetramethylcyclododeca-1,4,8-triene (CID 162881187) is 4,8,12,12-tetramethylcyclododeca-1,4,8-triene.
What is the SMILES notation for 4,8,12,12-tetramethylcyclododeca-1,4,8-triene?
The canonical SMILES for 4,8,12,12-tetramethylcyclododeca-1,4,8-triene is CC1=CCCC(C)=CCCC(C)(C)C=CC1.
What is the InChIKey of 4,8,12,12-tetramethylcyclododeca-1,4,8-triene?
The InChIKey is QNQINECMNZQLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-14-8-5-9-15(2)11-7-13-16(3,4)12-6-10-14/h6,8,11-12H,5,7,9-10,13H2,1-4H3.
What are the key properties of 4,8,12,12-tetramethylcyclododeca-1,4,8-triene?
4,8,12,12-tetramethylcyclododeca-1,4,8-triene has a molecular weight of 218.38 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,12,12-tetramethylcyclododeca-1,4,8-triene is sourced from PubChem (CID 162881187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).