5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene

C14H16 — CID 123697473

IUPAC5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene
SMILESCC=CC=C(CC)C1=CC=C=CC=C1
InChIInChI=1S/C14H16/c1-3-5-10-13(4-2)14-11-8-6-7-9-12-14/h3,5-6,8-12H,4H2,1-2H3
InChIKeyBYEJQKQSUWRGHK-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.11
Rot. Bonds3

About 5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene

5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene (PubChem CID 123697473) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene
PubChem CID123697473
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene
SMILESCC=CC=C(CC)C1=CC=C=CC=C1
InChIInChI=1S/C14H16/c1-3-5-10-13(4-2)14-11-8-6-7-9-12-14/h3,5-6,8-12H,4H2,1-2H3
InChIKeyBYEJQKQSUWRGHK-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene?
The IUPAC name of 5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene (CID 123697473) is 5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene is CC=CC=C(CC)C1=CC=C=CC=C1.
What is the InChIKey of 5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene?
The InChIKey is BYEJQKQSUWRGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-3-5-10-13(4-2)14-11-8-6-7-9-12-14/h3,5-6,8-12H,4H2,1-2H3.
What are the key properties of 5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene?
5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene has a molecular weight of 184.28 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hepta-3,5-dien-3-ylcyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 123697473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).