5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene

C12H14 — CID 12574067

IUPAC5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene
SMILESC1=CCC(C2C=CC=CC2)C=C1
InChIInChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-7,9,11-12H,8,10H2
InChIKeyBDXGQWVMAIPQNA-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.25
Rot. Bonds1

About 5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene

5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene (PubChem CID 12574067) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene
PubChem CID12574067
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene
SMILESC1=CCC(C2C=CC=CC2)C=C1
InChIInChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-7,9,11-12H,8,10H2
InChIKeyBDXGQWVMAIPQNA-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene?
The IUPAC name of 5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene (CID 12574067) is 5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene.
What is the SMILES notation for 5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene?
The canonical SMILES for 5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene is C1=CCC(C2C=CC=CC2)C=C1.
What is the InChIKey of 5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene?
The InChIKey is BDXGQWVMAIPQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-7,9,11-12H,8,10H2.
What are the key properties of 5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene?
5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene has a molecular weight of 158.24 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene is sourced from PubChem (CID 12574067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).