(1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene

C12H14 — CID 173030461

IUPAC(1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene
SMILESC1=C/C=C/C/C=C/C/C=C/C=C1
InChIInChI=1S/C12H14/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-8,11-12H,9-10H2/b3-1?,4-2?,7-5+,8-6+,12-11+
InChIKeySQJGRIMJGPLHFC-KSYPAWCLSA-N
MW158.24 g/mol
LogP3.56
Rot. Bonds

About (1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene

(1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene (PubChem CID 173030461) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is (1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene.

Molecular Properties

Compound Name(1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene
PubChem CID173030461
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name(1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene
SMILESC1=C/C=C/C/C=C/C/C=C/C=C1
InChIInChI=1S/C12H14/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-8,11-12H,9-10H2/b3-1?,4-2?,7-5+,8-6+,12-11+
InChIKeySQJGRIMJGPLHFC-KSYPAWCLSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene?
The IUPAC name of (1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene (CID 173030461) is (1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene.
What is the SMILES notation for (1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene?
The canonical SMILES for (1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene is C1=C/C=C/C/C=C/C/C=C/C=C1.
What is the InChIKey of (1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene?
The InChIKey is SQJGRIMJGPLHFC-KSYPAWCLSA-N. The full InChI is InChI=1S/C12H14/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-8,11-12H,9-10H2/b3-1?,4-2?,7-5+,8-6+,12-11+.
What are the key properties of (1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene?
(1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene has a molecular weight of 158.24 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,7E,10E)-cyclododeca-1,3,5,7,10-pentaene is sourced from PubChem (CID 173030461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).