5,5-dimethylcyclohexa-1,3-diene;1,2-xylene

C16H22 — CID 175128214

IUPAC5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
SMILESCC1(C)C=CC=CC1.Cc1ccccc1C
InChIInChI=1S/C8H12.C8H10/c1-8(2)6-4-3-5-7-8;1-7-5-3-4-6-8(7)2/h3-6H,7H2,1-2H3;3-6H,1-2H3
InChIKeyNDNKZDGTDRWKSJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.83
Rot. Bonds

About 5,5-dimethylcyclohexa-1,3-diene;1,2-xylene

5,5-dimethylcyclohexa-1,3-diene;1,2-xylene (PubChem CID 175128214) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 5,5-dimethylcyclohexa-1,3-diene;1,2-xylene.

Molecular Properties

Compound Name5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
PubChem CID175128214
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
SMILESCC1(C)C=CC=CC1.Cc1ccccc1C
InChIInChI=1S/C8H12.C8H10/c1-8(2)6-4-3-5-7-8;1-7-5-3-4-6-8(7)2/h3-6H,7H2,1-2H3;3-6H,1-2H3
InChIKeyNDNKZDGTDRWKSJ-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclohexa-1,3-diene;1,2-xylene?
The IUPAC name of 5,5-dimethylcyclohexa-1,3-diene;1,2-xylene (CID 175128214) is 5,5-dimethylcyclohexa-1,3-diene;1,2-xylene.
What is the SMILES notation for 5,5-dimethylcyclohexa-1,3-diene;1,2-xylene?
The canonical SMILES for 5,5-dimethylcyclohexa-1,3-diene;1,2-xylene is CC1(C)C=CC=CC1.Cc1ccccc1C.
What is the InChIKey of 5,5-dimethylcyclohexa-1,3-diene;1,2-xylene?
The InChIKey is NDNKZDGTDRWKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C8H10/c1-8(2)6-4-3-5-7-8;1-7-5-3-4-6-8(7)2/h3-6H,7H2,1-2H3;3-6H,1-2H3.
What are the key properties of 5,5-dimethylcyclohexa-1,3-diene;1,2-xylene?
5,5-dimethylcyclohexa-1,3-diene;1,2-xylene has a molecular weight of 214.35 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclohexa-1,3-diene;1,2-xylene is sourced from PubChem (CID 175128214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).