1-methyl-1-(trideuteriomethyl)cyclohexane

C8H16 — CID 164729390

IUPAC1-methyl-1-(trideuteriomethyl)cyclohexane
SMILES[2H]C([2H])([2H])C1(C)CCCCC1
InChIInChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3/i1D3
InChIKeyQEGNUYASOUJEHD-FIBGUPNXSA-N
MW115.23 g/mol
LogP2.98
Rot. Bonds1

About 1-methyl-1-(trideuteriomethyl)cyclohexane

1-methyl-1-(trideuteriomethyl)cyclohexane (PubChem CID 164729390) has the molecular formula C8H16 and a molecular weight of 115.23 g/mol. Its IUPAC name is 1-methyl-1-(trideuteriomethyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-1-(trideuteriomethyl)cyclohexane
PubChem CID164729390
Molecular FormulaC8H16
Molecular Weight115.23 g/mol
Exact Mass115.14
IUPAC Name1-methyl-1-(trideuteriomethyl)cyclohexane
SMILES[2H]C([2H])([2H])C1(C)CCCCC1
InChIInChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3/i1D3
InChIKeyQEGNUYASOUJEHD-FIBGUPNXSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
1,1,5-trimethylcycloundecane
CID 161434950
1,1,2,2,5,5-hexamethylcyclononane
CID 123180504
1,1,5,8-tetramethylcyclotetradecane
CID 143796202

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(trideuteriomethyl)cyclohexane?
The IUPAC name of 1-methyl-1-(trideuteriomethyl)cyclohexane (CID 164729390) is 1-methyl-1-(trideuteriomethyl)cyclohexane.
What is the SMILES notation for 1-methyl-1-(trideuteriomethyl)cyclohexane?
The canonical SMILES for 1-methyl-1-(trideuteriomethyl)cyclohexane is [2H]C([2H])([2H])C1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-(trideuteriomethyl)cyclohexane?
The InChIKey is QEGNUYASOUJEHD-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3/i1D3.
What are the key properties of 1-methyl-1-(trideuteriomethyl)cyclohexane?
1-methyl-1-(trideuteriomethyl)cyclohexane has a molecular weight of 115.23 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(trideuteriomethyl)cyclohexane is sourced from PubChem (CID 164729390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).