cyclotetradeca-1,3,6,9,12-pentaene

C14H18 — CID 90993440

IUPACcyclotetradeca-1,3,6,9,12-pentaene
SMILESC1=CCC=CCC=CCC=CCC=C1
InChIInChI=1S/C14H18/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-4,7-10,13-14H,5-6,11-12H2
InChIKeyLIGXTOVQAFVALK-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.34
Rot. Bonds

About cyclotetradeca-1,3,6,9,12-pentaene

cyclotetradeca-1,3,6,9,12-pentaene (PubChem CID 90993440) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is cyclotetradeca-1,3,6,9,12-pentaene.

Molecular Properties

Compound Namecyclotetradeca-1,3,6,9,12-pentaene
PubChem CID90993440
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Namecyclotetradeca-1,3,6,9,12-pentaene
SMILESC1=CCC=CCC=CCC=CCC=C1
InChIInChI=1S/C14H18/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-4,7-10,13-14H,5-6,11-12H2
InChIKeyLIGXTOVQAFVALK-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.34
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 cyclotetradeca-1,3,6,9,12-pentaene?
The IUPAC name of cyclotetradeca-1,3,6,9,12-pentaene (CID 90993440) is cyclotetradeca-1,3,6,9,12-pentaene.
What is the SMILES notation for cyclotetradeca-1,3,6,9,12-pentaene?
The canonical SMILES for cyclotetradeca-1,3,6,9,12-pentaene is C1=CCC=CCC=CCC=CCC=C1.
What is the InChIKey of cyclotetradeca-1,3,6,9,12-pentaene?
The InChIKey is LIGXTOVQAFVALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-4,7-10,13-14H,5-6,11-12H2.
What are the key properties of cyclotetradeca-1,3,6,9,12-pentaene?
cyclotetradeca-1,3,6,9,12-pentaene has a molecular weight of 186.30 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotetradeca-1,3,6,9,12-pentaene is sourced from PubChem (CID 90993440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).