cycloheptadeca-1,3,5,7-tetraene

C17H26 — CID 91466942

IUPACcycloheptadeca-1,3,5,7-tetraene
SMILESC1=CC=CCCCCCCCCCC=CC=C1
InChIInChI=1S/C17H26/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h1-8H,9-17H2
InChIKeyNETWKBOZDOCGAG-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.74
Rot. Bonds

About cycloheptadeca-1,3,5,7-tetraene

cycloheptadeca-1,3,5,7-tetraene (PubChem CID 91466942) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is cycloheptadeca-1,3,5,7-tetraene.

Molecular Properties

Compound Namecycloheptadeca-1,3,5,7-tetraene
PubChem CID91466942
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Namecycloheptadeca-1,3,5,7-tetraene
SMILESC1=CC=CCCCCCCCCCC=CC=C1
InChIInChI=1S/C17H26/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h1-8H,9-17H2
InChIKeyNETWKBOZDOCGAG-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cycloheptadeca-1,3,5,7-tetraene?
The IUPAC name of cycloheptadeca-1,3,5,7-tetraene (CID 91466942) is cycloheptadeca-1,3,5,7-tetraene.
What is the SMILES notation for cycloheptadeca-1,3,5,7-tetraene?
The canonical SMILES for cycloheptadeca-1,3,5,7-tetraene is C1=CC=CCCCCCCCCCC=CC=C1.
What is the InChIKey of cycloheptadeca-1,3,5,7-tetraene?
The InChIKey is NETWKBOZDOCGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h1-8H,9-17H2.
What are the key properties of cycloheptadeca-1,3,5,7-tetraene?
cycloheptadeca-1,3,5,7-tetraene has a molecular weight of 230.40 g/mol, XLogP of 5.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptadeca-1,3,5,7-tetraene is sourced from PubChem (CID 91466942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).