cyclohexa-1,3-diene;1,2-xylene

C14H18 — CID 159360183

IUPACcyclohexa-1,3-diene;1,2-xylene
SMILESC1=CCCC=C1.Cc1ccccc1C
InChIInChI=1S/C8H10.C6H8/c1-7-5-3-4-6-8(7)2;1-2-4-6-5-3-1/h3-6H,1-2H3;1-4H,5-6H2
InChIKeyLILAAWCLXXIIDC-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.20
Rot. Bonds

About cyclohexa-1,3-diene;1,2-xylene

cyclohexa-1,3-diene;1,2-xylene (PubChem CID 159360183) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is cyclohexa-1,3-diene;1,2-xylene.

Molecular Properties

Compound Namecyclohexa-1,3-diene;1,2-xylene
PubChem CID159360183
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Namecyclohexa-1,3-diene;1,2-xylene
SMILESC1=CCCC=C1.Cc1ccccc1C
InChIInChI=1S/C8H10.C6H8/c1-7-5-3-4-6-8(7)2;1-2-4-6-5-3-1/h3-6H,1-2H3;1-4H,5-6H2
InChIKeyLILAAWCLXXIIDC-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium
CID 172716500
1,2-xylene
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benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene
CID 174350152
ethane;methane;pentakis(1,2-xylene)
CID 158909718
CID 174747854
CID 174747854

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;1,2-xylene?
The IUPAC name of cyclohexa-1,3-diene;1,2-xylene (CID 159360183) is cyclohexa-1,3-diene;1,2-xylene.
What is the SMILES notation for cyclohexa-1,3-diene;1,2-xylene?
The canonical SMILES for cyclohexa-1,3-diene;1,2-xylene is C1=CCCC=C1.Cc1ccccc1C.
What is the InChIKey of cyclohexa-1,3-diene;1,2-xylene?
The InChIKey is LILAAWCLXXIIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H8/c1-7-5-3-4-6-8(7)2;1-2-4-6-5-3-1/h3-6H,1-2H3;1-4H,5-6H2.
What are the key properties of cyclohexa-1,3-diene;1,2-xylene?
cyclohexa-1,3-diene;1,2-xylene has a molecular weight of 186.30 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;1,2-xylene is sourced from PubChem (CID 159360183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).