4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene

C14H20 — CID 158608280

IUPAC4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene
SMILES[2H]C([2H])([2H])c1cc(C2([2H])CCCCC2)ccc1C
InChIInChI=1S/C14H20/c1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3/i2D3,13D
InChIKeyRIFYDCDZQDTMDB-JIBPXCTFSA-N
MW192.34 g/mol
LogP4.35
Rot. Bonds2

About 4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene

4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene (PubChem CID 158608280) has the molecular formula C14H20 and a molecular weight of 192.34 g/mol. Its IUPAC name is 4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene.

Molecular Properties

Compound Name4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene
PubChem CID158608280
Molecular FormulaC14H20
Molecular Weight192.34 g/mol
Exact Mass192.18
IUPAC Name4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene
SMILES[2H]C([2H])([2H])c1cc(C2([2H])CCCCC2)ccc1C
InChIInChI=1S/C14H20/c1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3/i2D3,13D
InChIKeyRIFYDCDZQDTMDB-JIBPXCTFSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene?
The IUPAC name of 4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene (CID 158608280) is 4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene.
What is the SMILES notation for 4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene?
The canonical SMILES for 4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene is [2H]C([2H])([2H])c1cc(C2([2H])CCCCC2)ccc1C.
What is the InChIKey of 4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene?
The InChIKey is RIFYDCDZQDTMDB-JIBPXCTFSA-N. The full InChI is InChI=1S/C14H20/c1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3/i2D3,13D.
What are the key properties of 4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene?
4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene has a molecular weight of 192.34 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-deuteriocyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene is sourced from PubChem (CID 158608280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).