2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene

C14H16 — CID 172998044

IUPAC2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene
SMILESC1=CCC=C(C2=CCC=CCC2)C=C1
InChIInChI=1S/C14H16/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h1-5,9-11H,6-8,12H2
InChIKeyUFDJSILOCGZWRY-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.10
Rot. Bonds1

About 2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene

2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene (PubChem CID 172998044) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene
PubChem CID172998044
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene
SMILESC1=CCC=C(C2=CCC=CCC2)C=C1
InChIInChI=1S/C14H16/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h1-5,9-11H,6-8,12H2
InChIKeyUFDJSILOCGZWRY-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)cyclohepta-1,3,5-triene
CID 173241187
2,4-dihydroazulene
CID 21189020
(4Z,6Z)-8H-cyclopenta[8]annulene
CID 136672977
4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine
CID 142122890
1,2,6,7-tetrahydronaphthalene
CID 15128067
ethane;methane;2-phenylcyclohepta-1,3,5-triene
CID 154646973
2-cyclohepta-1,4,6-trien-1-ylaniline
CID 134382260
(1Z,3E,6Z,10Z)-cyclododeca-1,3,6,10-tetraene
CID 173030637
(1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene
CID 155804319
1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene
CID 145066203
(3Z,5Z)-2-[(3E)-cyclonona-1,3-dien-1-yl]cyclonona-1,3,5-triene
CID 173380174
(1E,3Z)-cyclonona-1,3,6-triene
CID 173030680

Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene?
The IUPAC name of 2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene (CID 172998044) is 2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene?
The canonical SMILES for 2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene is C1=CCC=C(C2=CCC=CCC2)C=C1.
What is the InChIKey of 2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene?
The InChIKey is UFDJSILOCGZWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h1-5,9-11H,6-8,12H2.
What are the key properties of 2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene?
2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene has a molecular weight of 184.28 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,4-dien-1-ylcyclohepta-1,3,5-triene is sourced from PubChem (CID 172998044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).