trideuteriomethylcyclohexane

C7H14 — CID 18392042

IUPACtrideuteriomethylcyclohexane
SMILES[2H]C([2H])([2H])C1CCCCC1
InChIInChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i1D3
InChIKeyUAEPNZWRGJTJPN-FIBGUPNXSA-N
MW101.21 g/mol
LogP2.59
Rot. Bonds1

About trideuteriomethylcyclohexane

trideuteriomethylcyclohexane (PubChem CID 18392042) has the molecular formula C7H14 and a molecular weight of 101.21 g/mol. Its IUPAC name is trideuteriomethylcyclohexane.

Molecular Properties

Compound Nametrideuteriomethylcyclohexane
PubChem CID18392042
Molecular FormulaC7H14
Molecular Weight101.21 g/mol
Exact Mass101.13
IUPAC Nametrideuteriomethylcyclohexane
SMILES[2H]C([2H])([2H])C1CCCCC1
InChIInChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i1D3
InChIKeyUAEPNZWRGJTJPN-FIBGUPNXSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trideuteriomethylcyclohexane?
The IUPAC name of trideuteriomethylcyclohexane (CID 18392042) is trideuteriomethylcyclohexane.
What is the SMILES notation for trideuteriomethylcyclohexane?
The canonical SMILES for trideuteriomethylcyclohexane is [2H]C([2H])([2H])C1CCCCC1.
What is the InChIKey of trideuteriomethylcyclohexane?
The InChIKey is UAEPNZWRGJTJPN-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i1D3.
What are the key properties of trideuteriomethylcyclohexane?
trideuteriomethylcyclohexane has a molecular weight of 101.21 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideuteriomethylcyclohexane is sourced from PubChem (CID 18392042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).