1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene

C6H6 — CID 101103333

IUPAC1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
SMILES[2H][13c]1[13c]([2H])[13c]([2H])[13c]([2H])[13c]([2H])[13c]1[2H]
InChIInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1+1D,2+1D,3+1D,4+1D,5+1D,6+1D
InChIKeyUHOVQNZJYSORNB-PCEJJIFQSA-N
MW90.10 g/mol
LogP1.69
Rot. Bonds

About 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene

1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene (PubChem CID 101103333) has the molecular formula C6H6 and a molecular weight of 90.10 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
PubChem CID101103333
Molecular FormulaC6H6
Molecular Weight90.10 g/mol
Exact Mass90.10
IUPAC Name1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
SMILES[2H][13c]1[13c]([2H])[13c]([2H])[13c]([2H])[13c]([2H])[13c]1[2H]
InChIInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1+1D,2+1D,3+1D,4+1D,5+1D,6+1D
InChIKeyUHOVQNZJYSORNB-PCEJJIFQSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene?
The IUPAC name of 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene (CID 101103333) is 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene.
What is the SMILES notation for 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene?
The canonical SMILES for 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene is [2H][13c]1[13c]([2H])[13c]([2H])[13c]([2H])[13c]([2H])[13c]1[2H].
What is the InChIKey of 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene?
The InChIKey is UHOVQNZJYSORNB-PCEJJIFQSA-N. The full InChI is InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1+1D,2+1D,3+1D,4+1D,5+1D,6+1D.
What are the key properties of 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene?
1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene has a molecular weight of 90.10 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene is sourced from PubChem (CID 101103333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).