(1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene

C16H26 — CID 140996280

IUPAC(1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene
SMILESC/C1=C/C/C=C\C(C)(C)CC/C(C)=C\CC1
InChIInChI=1S/C16H26/c1-14-8-5-6-12-16(3,4)13-11-15(2)10-7-9-14/h6,8,10,12H,5,7,9,11,13H2,1-4H3/b12-6-,14-8-,15-10-
InChIKeyYYWQPTKWRMGXPI-SNFGVDASSA-N
MW218.38 g/mol
LogP5.43
Rot. Bonds

About (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene

(1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene (PubChem CID 140996280) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene.

Molecular Properties

Compound Name(1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene
PubChem CID140996280
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene
SMILESC/C1=C/C/C=C\C(C)(C)CC/C(C)=C\CC1
InChIInChI=1S/C16H26/c1-14-8-5-6-12-16(3,4)13-11-15(2)10-7-9-14/h6,8,10,12H,5,7,9,11,13H2,1-4H3/b12-6-,14-8-,15-10-
InChIKeyYYWQPTKWRMGXPI-SNFGVDASSA-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'}

Analyze (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene with MolForge

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Related Compounds

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CID 21159121
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene
CID 175103476
1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone
CID 150062283
1,4,8,12,12-pentamethyl-15-oxabicyclo[12.1.0]pentadeca-3,7,10-triene
CID 163114003
5,8,8-trimethylcycloundeca-1,5,9-triene-1-carboxylic acid
CID 74202895
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296
(1S,2E,4Z,7E,11E)-1-(2-hydroxypropan-2-yl)-4,8,12-trimethylcyclotetradeca-2,4,7,11-tetraen-1-ol
CID 171121377
(1Z,6E)-1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene
CID 14038477
3,3,6,10-tetramethylcycloundeca-1,5,9-triene-1-thiol
CID 162946968

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene?
The IUPAC name of (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene (CID 140996280) is (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene.
What is the SMILES notation for (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene?
The canonical SMILES for (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene is C/C1=C/C/C=C\C(C)(C)CC/C(C)=C\CC1.
What is the InChIKey of (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene?
The InChIKey is YYWQPTKWRMGXPI-SNFGVDASSA-N. The full InChI is InChI=1S/C16H26/c1-14-8-5-6-12-16(3,4)13-11-15(2)10-7-9-14/h6,8,10,12H,5,7,9,11,13H2,1-4H3/b12-6-,14-8-,15-10-.
What are the key properties of (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene?
(1Z,4Z,8Z)-5,9,12,12-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 (1Z,4Z,8Z)-5,9,12,12-tetramethylcyclododeca-1,4,8-triene is sourced from PubChem (CID 140996280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).