(1E,4E)-cyclotrideca-1,4,9-triene

C13H20 — CID 173030580

IUPAC(1E,4E)-cyclotrideca-1,4,9-triene
SMILESC1=CCCC/C=C/C/C=C/CCC1
InChIInChI=1S/C13H20/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-2,5,7,10,12H,3-4,6,8-9,11,13H2/b2-1+,7-5+,12-10?
InChIKeyFUTGHVRXLCTILX-IUCJDSLKSA-N
MW176.30 g/mol
LogP4.40
Rot. Bonds

About (1E,4E)-cyclotrideca-1,4,9-triene

(1E,4E)-cyclotrideca-1,4,9-triene (PubChem CID 173030580) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (1E,4E)-cyclotrideca-1,4,9-triene.

Molecular Properties

Compound Name(1E,4E)-cyclotrideca-1,4,9-triene
PubChem CID173030580
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(1E,4E)-cyclotrideca-1,4,9-triene
SMILESC1=CCCC/C=C/C/C=C/CCC1
InChIInChI=1S/C13H20/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-2,5,7,10,12H,3-4,6,8-9,11,13H2/b2-1+,7-5+,12-10?
InChIKeyFUTGHVRXLCTILX-IUCJDSLKSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.40
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,4E)-cyclotrideca-1,4,9-triene?
The IUPAC name of (1E,4E)-cyclotrideca-1,4,9-triene (CID 173030580) is (1E,4E)-cyclotrideca-1,4,9-triene.
What is the SMILES notation for (1E,4E)-cyclotrideca-1,4,9-triene?
The canonical SMILES for (1E,4E)-cyclotrideca-1,4,9-triene is C1=CCCC/C=C/C/C=C/CCC1.
What is the InChIKey of (1E,4E)-cyclotrideca-1,4,9-triene?
The InChIKey is FUTGHVRXLCTILX-IUCJDSLKSA-N. The full InChI is InChI=1S/C13H20/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-2,5,7,10,12H,3-4,6,8-9,11,13H2/b2-1+,7-5+,12-10?.
What are the key properties of (1E,4E)-cyclotrideca-1,4,9-triene?
(1E,4E)-cyclotrideca-1,4,9-triene has a molecular weight of 176.30 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-cyclotrideca-1,4,9-triene is sourced from PubChem (CID 173030580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).