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

C16H22 — CID 142004310

IUPAC1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
SMILESCC1=CC=C(C)CC1.Cc1ccc(C)cc1
InChIInChI=1S/C8H12.C8H10/c2*1-7-3-5-8(2)6-4-7/h3,5H,4,6H2,1-2H3;3-6H,1-2H3
InChIKeyLGQPTPXKJQGOSZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.98
Rot. Bonds

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

1,4-dimethylcyclohexa-1,3-diene;1,4-xylene (PubChem CID 142004310) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,4-dimethylcyclohexa-1,3-diene;1,4-xylene.

Molecular Properties

Compound Name1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
PubChem CID142004310
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
SMILESCC1=CC=C(C)CC1.Cc1ccc(C)cc1
InChIInChI=1S/C8H12.C8H10/c2*1-7-3-5-8(2)6-4-7/h3,5H,4,6H2,1-2H3;3-6H,1-2H3
InChIKeyLGQPTPXKJQGOSZ-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexa-1,3-diene;1,4-xylene?
The IUPAC name of 1,4-dimethylcyclohexa-1,3-diene;1,4-xylene (CID 142004310) is 1,4-dimethylcyclohexa-1,3-diene;1,4-xylene.
What is the SMILES notation for 1,4-dimethylcyclohexa-1,3-diene;1,4-xylene?
The canonical SMILES for 1,4-dimethylcyclohexa-1,3-diene;1,4-xylene is CC1=CC=C(C)CC1.Cc1ccc(C)cc1.
What is the InChIKey of 1,4-dimethylcyclohexa-1,3-diene;1,4-xylene?
The InChIKey is LGQPTPXKJQGOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C8H10/c2*1-7-3-5-8(2)6-4-7/h3,5H,4,6H2,1-2H3;3-6H,1-2H3.
What are the key properties of 1,4-dimethylcyclohexa-1,3-diene;1,4-xylene?
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene has a molecular weight of 214.35 g/mol, XLogP of 4.98, 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;1,4-xylene is sourced from PubChem (CID 142004310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).