1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene

C10H18 — CID 2724146

IUPAC1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])C1([2H])[2H]
InChIInChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D
InChIKeyNNBZCPXTIHJBJL-XRRAJICISA-N
MW156.36 g/mol
LogP3.37
Rot. Bonds

About 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene

1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene (PubChem CID 2724146) has the molecular formula C10H18 and a molecular weight of 156.36 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene
PubChem CID2724146
Molecular FormulaC10H18
Molecular Weight156.36 g/mol
Exact Mass156.25
IUPAC Name1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])C1([2H])[2H]
InChIInChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D
InChIKeyNNBZCPXTIHJBJL-XRRAJICISA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene?
The IUPAC name of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene (CID 2724146) is 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene?
The canonical SMILES for 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene is [2H]C1([2H])C([2H])([2H])C([2H])([2H])C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])C1([2H])[2H].
What is the InChIKey of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene?
The InChIKey is NNBZCPXTIHJBJL-XRRAJICISA-N. The full InChI is InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D.
What are the key properties of 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene?
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene has a molecular weight of 156.36 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene is sourced from PubChem (CID 2724146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).