4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene

C16H24 — CID 155785036

IUPAC4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene
SMILES[2H]C([2H])([2H])c1cc(C2([2H])CCC(C)(C)CC2)ccc1C
InChIInChI=1S/C16H24/c1-12-5-6-15(11-13(12)2)14-7-9-16(3,4)10-8-14/h5-6,11,14H,7-10H2,1-4H3/i2D3,14D
InChIKeyHMMNEBZFTBGEQH-JACJUQRUSA-N
MW220.39 g/mol
LogP4.99
Rot. Bonds2

About 4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene

4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene (PubChem CID 155785036) has the molecular formula C16H24 and a molecular weight of 220.39 g/mol. Its IUPAC name is 4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene.

Molecular Properties

Compound Name4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene
PubChem CID155785036
Molecular FormulaC16H24
Molecular Weight220.39 g/mol
Exact Mass220.21
IUPAC Name4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene
SMILES[2H]C([2H])([2H])c1cc(C2([2H])CCC(C)(C)CC2)ccc1C
InChIInChI=1S/C16H24/c1-12-5-6-15(11-13(12)2)14-7-9-16(3,4)10-8-14/h5-6,11,14H,7-10H2,1-4H3/i2D3,14D
InChIKeyHMMNEBZFTBGEQH-JACJUQRUSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene?
The IUPAC name of 4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene (CID 155785036) is 4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene.
What is the SMILES notation for 4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene?
The canonical SMILES for 4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene is [2H]C([2H])([2H])c1cc(C2([2H])CCC(C)(C)CC2)ccc1C.
What is the InChIKey of 4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene?
The InChIKey is HMMNEBZFTBGEQH-JACJUQRUSA-N. The full InChI is InChI=1S/C16H24/c1-12-5-6-15(11-13(12)2)14-7-9-16(3,4)10-8-14/h5-6,11,14H,7-10H2,1-4H3/i2D3,14D.
What are the key properties of 4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene?
4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene has a molecular weight of 220.39 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-deuterio-4,4-dimethylcyclohexyl)-1-methyl-2-(trideuteriomethyl)benzene is sourced from PubChem (CID 155785036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).