1,2,2,3-tetradeuterio-1-methylcyclohexane

C7H14 — CID 173226872

IUPAC1,2,2,3-tetradeuterio-1-methylcyclohexane
SMILES[2H]C1CCCC([2H])(C)C1([2H])[2H]
InChIInChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i3D,5D2,7D
InChIKeyUAEPNZWRGJTJPN-RIBCBKQJSA-N
MW102.21 g/mol
LogP2.59
Rot. Bonds

About 1,2,2,3-tetradeuterio-1-methylcyclohexane

1,2,2,3-tetradeuterio-1-methylcyclohexane (PubChem CID 173226872) has the molecular formula C7H14 and a molecular weight of 102.21 g/mol. Its IUPAC name is 1,2,2,3-tetradeuterio-1-methylcyclohexane.

Molecular Properties

Compound Name1,2,2,3-tetradeuterio-1-methylcyclohexane
PubChem CID173226872
Molecular FormulaC7H14
Molecular Weight102.21 g/mol
Exact Mass102.13
IUPAC Name1,2,2,3-tetradeuterio-1-methylcyclohexane
SMILES[2H]C1CCCC([2H])(C)C1([2H])[2H]
InChIInChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i3D,5D2,7D
InChIKeyUAEPNZWRGJTJPN-RIBCBKQJSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dideuterio-1-methylcyclopentane
CID 58224464
(3R)-3-deuterio-3-methyl-1,1-bis(trideuteriomethyl)silolane
CID 140812459
methylcyclopentane
CID 7296
1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-dideuterioethylcyclohexane;1,1-dideuterioethylcyclopentane
CID 159811304
1-tert-butyl-1-deuteriocyclopentane
CID 140770712
1,2-dimethylcyclononadecane
CID 123549851
erbium;tris(methylcyclopentane)
CID 91996115
1,2-dimethylcycloicosane
CID 123296856
CID 158187464
CID 158187464
cyclohexane;methylcyclopentane
CID 20788572
1,2-dimethylcyclohexane;vanadium
CID 142004480
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetradeuterio-1-methylcyclohexane?
The IUPAC name of 1,2,2,3-tetradeuterio-1-methylcyclohexane (CID 173226872) is 1,2,2,3-tetradeuterio-1-methylcyclohexane.
What is the SMILES notation for 1,2,2,3-tetradeuterio-1-methylcyclohexane?
The canonical SMILES for 1,2,2,3-tetradeuterio-1-methylcyclohexane is [2H]C1CCCC([2H])(C)C1([2H])[2H].
What is the InChIKey of 1,2,2,3-tetradeuterio-1-methylcyclohexane?
The InChIKey is UAEPNZWRGJTJPN-RIBCBKQJSA-N. The full InChI is InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i3D,5D2,7D.
What are the key properties of 1,2,2,3-tetradeuterio-1-methylcyclohexane?
1,2,2,3-tetradeuterio-1-methylcyclohexane has a molecular weight of 102.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetradeuterio-1-methylcyclohexane is sourced from PubChem (CID 173226872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).