1,4-dimethyl-5-(trideuteriomethyl)naphthalene

C13H14 — CID 101091330

IUPAC1,4-dimethyl-5-(trideuteriomethyl)naphthalene
SMILES[2H]C([2H])([2H])c1cccc2c(C)ccc(C)c12
InChIInChI=1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3/i2D3
InChIKeyFSAWRQYDMHSDRN-BMSJAHLVSA-N
MW173.27 g/mol
LogP3.77
Rot. Bonds1

About 1,4-dimethyl-5-(trideuteriomethyl)naphthalene

1,4-dimethyl-5-(trideuteriomethyl)naphthalene (PubChem CID 101091330) has the molecular formula C13H14 and a molecular weight of 173.27 g/mol. Its IUPAC name is 1,4-dimethyl-5-(trideuteriomethyl)naphthalene.

Molecular Properties

Compound Name1,4-dimethyl-5-(trideuteriomethyl)naphthalene
PubChem CID101091330
Molecular FormulaC13H14
Molecular Weight173.27 g/mol
Exact Mass173.13
IUPAC Name1,4-dimethyl-5-(trideuteriomethyl)naphthalene
SMILES[2H]C([2H])([2H])c1cccc2c(C)ccc(C)c12
InChIInChI=1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3/i2D3
InChIKeyFSAWRQYDMHSDRN-BMSJAHLVSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4,9-trimethylperylene
CID 59598979
1,5-dimethylnaphthalene
CID 162159355
CID 155586253
CID 155586253
1,5,12-trimethyltriphenylene
CID 102264978
1,4,5,8-tetramethylphenanthrene
CID 14619660
[2,6-bis(trideuteriomethyl)phenyl]boronic acid
CID 155705944
4,5-dimethylnaphthalene-1-sulfonate
CID 54458023
1-N,1-N,8-N,8-N,4-pentamethylnaphthalene-1,8-diamine
CID 15890494
5-methylacenaphthylene-1,2-dione
CID 13004585
2,6-bis(trideuteriomethyl)aniline
CID 45039069
ethane;1,2,5-trimethylnaphthalene
CID 142394206
4,5-dimethyl-1-phenoxynaphthalene
CID 54090938

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(trideuteriomethyl)naphthalene?
The IUPAC name of 1,4-dimethyl-5-(trideuteriomethyl)naphthalene (CID 101091330) is 1,4-dimethyl-5-(trideuteriomethyl)naphthalene.
What is the SMILES notation for 1,4-dimethyl-5-(trideuteriomethyl)naphthalene?
The canonical SMILES for 1,4-dimethyl-5-(trideuteriomethyl)naphthalene is [2H]C([2H])([2H])c1cccc2c(C)ccc(C)c12.
What is the InChIKey of 1,4-dimethyl-5-(trideuteriomethyl)naphthalene?
The InChIKey is FSAWRQYDMHSDRN-BMSJAHLVSA-N. The full InChI is InChI=1S/C13H14/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4-8H,1-3H3/i2D3.
What are the key properties of 1,4-dimethyl-5-(trideuteriomethyl)naphthalene?
1,4-dimethyl-5-(trideuteriomethyl)naphthalene has a molecular weight of 173.27 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(trideuteriomethyl)naphthalene is sourced from PubChem (CID 101091330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).