1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene

C24H32 — CID 164863410

IUPAC1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene
SMILESCC1=CC=C(C)CC1.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/C8H12.2C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3,5H,4,6H2,1-2H3;2*3-6H,1-2H3
InChIKeySMXDQZFZDIOITC-UHFFFAOYSA-N
MW320.52 g/mol
LogP7.28
Rot. Bonds

About 1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene

1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene (PubChem CID 164863410) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene.

Molecular Properties

Compound Name1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene
PubChem CID164863410
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene
SMILESCC1=CC=C(C)CC1.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/C8H12.2C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3,5H,4,6H2,1-2H3;2*3-6H,1-2H3
InChIKeySMXDQZFZDIOITC-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene?
The IUPAC name of 1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene (CID 164863410) is 1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene.
What is the SMILES notation for 1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene?
The canonical SMILES for 1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene is CC1=CC=C(C)CC1.Cc1cccc(C)c1.Cc1ccccc1C.
What is the InChIKey of 1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene?
The InChIKey is SMXDQZFZDIOITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.2C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3,5H,4,6H2,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene?
1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene has a molecular weight of 320.52 g/mol, XLogP of 7.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene is sourced from PubChem (CID 164863410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).