4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene

C9H16O — CID 175958286

IUPAC4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene
SMILES[2H]C([2H])([2H])OC1=CCC(C)(C)CC1
InChIInChI=1S/C9H16O/c1-9(2)6-4-8(10-3)5-7-9/h4H,5-7H2,1-3H3/i3D3
InChIKeyWDNZMAPNUBPBMI-HPRDVNIFSA-N
MW143.24 g/mol
LogP2.73
Rot. Bonds2

About 4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene

4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene (PubChem CID 175958286) has the molecular formula C9H16O and a molecular weight of 143.24 g/mol. Its IUPAC name is 4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene.

Molecular Properties

Compound Name4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene
PubChem CID175958286
Molecular FormulaC9H16O
Molecular Weight143.24 g/mol
Exact Mass143.14
IUPAC Name4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene
SMILES[2H]C([2H])([2H])OC1=CCC(C)(C)CC1
InChIInChI=1S/C9H16O/c1-9(2)6-4-8(10-3)5-7-9/h4H,5-7H2,1-3H3/i3D3
InChIKeyWDNZMAPNUBPBMI-HPRDVNIFSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene?
The IUPAC name of 4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene (CID 175958286) is 4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene.
What is the SMILES notation for 4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene?
The canonical SMILES for 4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene is [2H]C([2H])([2H])OC1=CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene?
The InChIKey is WDNZMAPNUBPBMI-HPRDVNIFSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)6-4-8(10-3)5-7-9/h4H,5-7H2,1-3H3/i3D3.
What are the key properties of 4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene?
4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene has a molecular weight of 143.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(trideuteriomethoxy)cyclohexene is sourced from PubChem (CID 175958286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).