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

C14H18 — CID 13115978

IUPAC5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene
SMILESC1=CCCC(C2C=CC=CCC2)C=C1
InChIInChI=1S/C14H18/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h1-5,7,9,11,13-14H,6,8,10,12H2
InChIKeyIKYHEGKNCSPFCW-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.03
Rot. Bonds1

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

5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene (PubChem CID 13115978) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene.

Molecular Properties

Compound Name5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene
PubChem CID13115978
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene
SMILESC1=CCCC(C2C=CC=CCC2)C=C1
InChIInChI=1S/C14H18/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h1-5,7,9,11,13-14H,6,8,10,12H2
InChIKeyIKYHEGKNCSPFCW-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene?
The IUPAC name of 5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene (CID 13115978) is 5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene.
What is the SMILES notation for 5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene?
The canonical SMILES for 5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene is C1=CCCC(C2C=CC=CCC2)C=C1.
What is the InChIKey of 5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene?
The InChIKey is IKYHEGKNCSPFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h1-5,7,9,11,13-14H,6,8,10,12H2.
What are the key properties of 5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene?
5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene has a molecular weight of 186.30 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene is sourced from PubChem (CID 13115978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).