6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene

C11H18 — CID 167650322

IUPAC6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene
SMILES[2H]C([2H])=C(C)C1C=CC(C)(C)CC1
InChIInChI=1S/C11H18/c1-9(2)10-5-7-11(3,4)8-6-10/h5,7,10H,1,6,8H2,2-4H3/i1D2
InChIKeyZEHCXIOYWXOOCV-DICFDUPASA-N
MW152.28 g/mol
LogP3.55
Rot. Bonds1

About 6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene

6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene (PubChem CID 167650322) has the molecular formula C11H18 and a molecular weight of 152.28 g/mol. Its IUPAC name is 6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene
PubChem CID167650322
Molecular FormulaC11H18
Molecular Weight152.28 g/mol
Exact Mass152.15
IUPAC Name6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene
SMILES[2H]C([2H])=C(C)C1C=CC(C)(C)CC1
InChIInChI=1S/C11H18/c1-9(2)10-5-7-11(3,4)8-6-10/h5,7,10H,1,6,8H2,2-4H3/i1D2
InChIKeyZEHCXIOYWXOOCV-DICFDUPASA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 12618691
argon;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 159755681
3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene
CID 140938961
(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 130265222
1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 14263532
3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene
CID 562417
[(1S)-1-hydroxy-4-prop-1-en-2-ylcyclohex-2-en-1-yl]methyl acetate
CID 90382192
(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
CID 101145323
(6R)-6-tert-butyl-3,3-dimethylcyclohexene
CID 59592096
benzene-1,3,5-triol;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;2-[(1R,6R)-6-prop-1-en-2-yl-3-(trideuteriomethyl)cyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 167599499
1-[(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-yl]peroxydecan-1-ol
CID 140938948
benzene-1,3,5-triol;(1R,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 165009870

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene?
The IUPAC name of 6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene (CID 167650322) is 6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene.
What is the SMILES notation for 6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene?
The canonical SMILES for 6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene is [2H]C([2H])=C(C)C1C=CC(C)(C)CC1.
What is the InChIKey of 6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene?
The InChIKey is ZEHCXIOYWXOOCV-DICFDUPASA-N. The full InChI is InChI=1S/C11H18/c1-9(2)10-5-7-11(3,4)8-6-10/h5,7,10H,1,6,8H2,2-4H3/i1D2.
What are the key properties of 6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene?
6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene is sourced from PubChem (CID 167650322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).