(5E,9E)-cyclododeca-1,3,5,9-tetraene

C12H16 — CID 173030490

IUPAC(5E,9E)-cyclododeca-1,3,5,9-tetraene
SMILESC1=C/C=C/CC/C=C/CCC=C1
InChIInChI=1S/C12H16/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6,11-12H,7-10H2/b2-1?,5-3+,6-4?,12-11+
InChIKeyMCXVMIXOYKRIPZ-PCCGFHDQSA-N
MW160.26 g/mol
LogP3.79
Rot. Bonds

About (5E,9E)-cyclododeca-1,3,5,9-tetraene

(5E,9E)-cyclododeca-1,3,5,9-tetraene (PubChem CID 173030490) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (5E,9E)-cyclododeca-1,3,5,9-tetraene.

Molecular Properties

Compound Name(5E,9E)-cyclododeca-1,3,5,9-tetraene
PubChem CID173030490
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(5E,9E)-cyclododeca-1,3,5,9-tetraene
SMILESC1=C/C=C/CC/C=C/CCC=C1
InChIInChI=1S/C12H16/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6,11-12H,7-10H2/b2-1?,5-3+,6-4?,12-11+
InChIKeyMCXVMIXOYKRIPZ-PCCGFHDQSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.79
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

(1Z,3Z)-cyclodeca-1,3,7-triene
CID 173030744
(1Z,3Z,5E,7Z)-cyclodeca-1,3,5,7-tetraene
CID 102481201
(3Z,5E,7E,9E,11Z,13E,15E,17Z)-cycloicosa-1,3,5,7,9,11,13,15,17-nonaene
CID 173020725
(7E,11Z)-cyclotetradeca-1,3,7,11-tetraene
CID 173030521
cyclohexa-1,3-diene;nickel(2+)
CID 23341936
(5E,9Z)-cyclotetradeca-1,3,5,9-tetraene
CID 173044041
(1Z,3E,5Z,8Z)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173044042
(1Z,3E,5Z,7E)-cyclotrideca-1,3,5,7,10-pentaene
CID 173030820
(1E,3Z,5E,8E)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173030944
(1E,3Z,5E,11Z)-cyclotetradeca-1,3,5,8,11-pentaene
CID 173030681
(3Z,5E,7E,10Z)-cyclotrideca-1,3,5,7,10-pentaene
CID 173044026
(1Z,3Z,5E)-cycloundeca-1,3,5,8-tetraene
CID 173044022

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-cyclododeca-1,3,5,9-tetraene?
The IUPAC name of (5E,9E)-cyclododeca-1,3,5,9-tetraene (CID 173030490) is (5E,9E)-cyclododeca-1,3,5,9-tetraene.
What is the SMILES notation for (5E,9E)-cyclododeca-1,3,5,9-tetraene?
The canonical SMILES for (5E,9E)-cyclododeca-1,3,5,9-tetraene is C1=C/C=C/CC/C=C/CCC=C1.
What is the InChIKey of (5E,9E)-cyclododeca-1,3,5,9-tetraene?
The InChIKey is MCXVMIXOYKRIPZ-PCCGFHDQSA-N. The full InChI is InChI=1S/C12H16/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6,11-12H,7-10H2/b2-1?,5-3+,6-4?,12-11+.
What are the key properties of (5E,9E)-cyclododeca-1,3,5,9-tetraene?
(5E,9E)-cyclododeca-1,3,5,9-tetraene has a molecular weight of 160.26 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-cyclododeca-1,3,5,9-tetraene is sourced from PubChem (CID 173030490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).