1,2,2-trideuterioethenylcyclohexane

C8H14 — CID 154709689

IUPAC1,2,2-trideuterioethenylcyclohexane
SMILES[2H]C([2H])=C([2H])C1CCCCC1
InChIInChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2/i1D2,2D
InChIKeyLDLDYFCCDKENPD-FUDHJZNOSA-N
MW113.22 g/mol
LogP2.75
Rot. Bonds1

About 1,2,2-trideuterioethenylcyclohexane

1,2,2-trideuterioethenylcyclohexane (PubChem CID 154709689) has the molecular formula C8H14 and a molecular weight of 113.22 g/mol. Its IUPAC name is 1,2,2-trideuterioethenylcyclohexane.

Molecular Properties

Compound Name1,2,2-trideuterioethenylcyclohexane
PubChem CID154709689
Molecular FormulaC8H14
Molecular Weight113.22 g/mol
Exact Mass113.13
IUPAC Name1,2,2-trideuterioethenylcyclohexane
SMILES[2H]C([2H])=C([2H])C1CCCCC1
InChIInChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2/i1D2,2D
InChIKeyLDLDYFCCDKENPD-FUDHJZNOSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.22
LogP ≤ 52.75
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

Vinylcyclohexane
CID 12757
Allylcyclohexane
CID 75027
Cyclohexylallene
CID 21873
Allylcyclopentane
CID 77059
1-Methyl-4-methylidenecyclohexane
CID 520363
1,2-Diethenylcyclohexane
CID 70491
3-(Prop-2-en-1-yl)cyclohex-1-ene
CID 139918
1-Octene, 6-methyl-
CID 518716
4-Methyl-1-octene
CID 518717
1-Methyl-2-methylenecyclohexane
CID 137725
rel-(1R,2S)-1,2-Diethenylcyclohexane
CID 14906634
5-Cyclohexyl-1-pentene
CID 523968

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trideuterioethenylcyclohexane?
The IUPAC name of 1,2,2-trideuterioethenylcyclohexane (CID 154709689) is 1,2,2-trideuterioethenylcyclohexane.
What is the SMILES notation for 1,2,2-trideuterioethenylcyclohexane?
The canonical SMILES for 1,2,2-trideuterioethenylcyclohexane is [2H]C([2H])=C([2H])C1CCCCC1.
What is the InChIKey of 1,2,2-trideuterioethenylcyclohexane?
The InChIKey is LDLDYFCCDKENPD-FUDHJZNOSA-N. The full InChI is InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2/i1D2,2D.
What are the key properties of 1,2,2-trideuterioethenylcyclohexane?
1,2,2-trideuterioethenylcyclohexane has a molecular weight of 113.22 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trideuterioethenylcyclohexane is sourced from PubChem (CID 154709689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).