cyclotetradecaheptaene

C14H14 — CID 11988275

IUPACcyclotetradecaheptaene
SMILESc1ccccccccccccc1
InChIInChI=1S/C14H14/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H/b2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6-,9-7-,10-8+,11-9+,12-10+,13-11+,14-12-,14-13-
InChIKeyRYQWRHUSMUEYST-ILUIUFOYSA-N
MW182.27 g/mol
LogP3.94
Rot. Bonds

About cyclotetradecaheptaene

cyclotetradecaheptaene (PubChem CID 11988275) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is cyclotetradecaheptaene.

Molecular Properties

Compound Namecyclotetradecaheptaene
PubChem CID11988275
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Namecyclotetradecaheptaene
SMILESc1ccccccccccccc1
InChIInChI=1S/C14H14/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H/b2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6-,9-7-,10-8+,11-9+,12-10+,13-11+,14-12-,14-13-
InChIKeyRYQWRHUSMUEYST-ILUIUFOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclotetradecaheptaene?
The IUPAC name of cyclotetradecaheptaene (CID 11988275) is cyclotetradecaheptaene.
What is the SMILES notation for cyclotetradecaheptaene?
The canonical SMILES for cyclotetradecaheptaene is c1ccccccccccccc1.
What is the InChIKey of cyclotetradecaheptaene?
The InChIKey is RYQWRHUSMUEYST-ILUIUFOYSA-N. The full InChI is InChI=1S/C14H14/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H/b2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6-,9-7-,10-8+,11-9+,12-10+,13-11+,14-12-,14-13-.
What are the key properties of cyclotetradecaheptaene?
cyclotetradecaheptaene has a molecular weight of 182.27 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotetradecaheptaene is sourced from PubChem (CID 11988275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).