(1E,6E)-cyclotrideca-1,3,6,10-tetraene

C13H18 — CID 91188209

IUPAC(1E,6E)-cyclotrideca-1,3,6,10-tetraene
SMILESC1=CC/C=C/CCC=CCC/C=C/1
InChIInChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-4,7,9-10,12H,5-6,8,11,13H2/b3-1?,4-2+,9-7+,12-10?
InChIKeyIQBKPNWSNRYHEN-LPBDLRSSSA-N
MW174.29 g/mol
LogP4.18
Rot. Bonds

About (1E,6E)-cyclotrideca-1,3,6,10-tetraene

(1E,6E)-cyclotrideca-1,3,6,10-tetraene (PubChem CID 91188209) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (1E,6E)-cyclotrideca-1,3,6,10-tetraene.

Molecular Properties

Compound Name(1E,6E)-cyclotrideca-1,3,6,10-tetraene
PubChem CID91188209
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(1E,6E)-cyclotrideca-1,3,6,10-tetraene
SMILESC1=CC/C=C/CCC=CCC/C=C/1
InChIInChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-4,7,9-10,12H,5-6,8,11,13H2/b3-1?,4-2+,9-7+,12-10?
InChIKeyIQBKPNWSNRYHEN-LPBDLRSSSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.18
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,6E)-cyclotrideca-1,3,6,10-tetraene?
The IUPAC name of (1E,6E)-cyclotrideca-1,3,6,10-tetraene (CID 91188209) is (1E,6E)-cyclotrideca-1,3,6,10-tetraene.
What is the SMILES notation for (1E,6E)-cyclotrideca-1,3,6,10-tetraene?
The canonical SMILES for (1E,6E)-cyclotrideca-1,3,6,10-tetraene is C1=CC/C=C/CCC=CCC/C=C/1.
What is the InChIKey of (1E,6E)-cyclotrideca-1,3,6,10-tetraene?
The InChIKey is IQBKPNWSNRYHEN-LPBDLRSSSA-N. The full InChI is InChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-4,7,9-10,12H,5-6,8,11,13H2/b3-1?,4-2+,9-7+,12-10?.
What are the key properties of (1E,6E)-cyclotrideca-1,3,6,10-tetraene?
(1E,6E)-cyclotrideca-1,3,6,10-tetraene has a molecular weight of 174.29 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6E)-cyclotrideca-1,3,6,10-tetraene is sourced from PubChem (CID 91188209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).