1-deuteriocyclohexene

C6H10 — CID 91181716

IUPAC1-deuteriocyclohexene
SMILES[2H]C1=CCCCC1
InChIInChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2/i1D
InChIKeyHGCIXCUEYOPUTN-MICDWDOJSA-N
MW83.15 g/mol
LogP2.12
Rot. Bonds

About 1-deuteriocyclohexene

1-deuteriocyclohexene (PubChem CID 91181716) has the molecular formula C6H10 and a molecular weight of 83.15 g/mol. Its IUPAC name is 1-deuteriocyclohexene.

Molecular Properties

Compound Name1-deuteriocyclohexene
PubChem CID91181716
Molecular FormulaC6H10
Molecular Weight83.15 g/mol
Exact Mass83.08
IUPAC Name1-deuteriocyclohexene
SMILES[2H]C1=CCCCC1
InChIInChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2/i1D
InChIKeyHGCIXCUEYOPUTN-MICDWDOJSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.15
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-deuteriocyclohexene?
The IUPAC name of 1-deuteriocyclohexene (CID 91181716) is 1-deuteriocyclohexene.
What is the SMILES notation for 1-deuteriocyclohexene?
The canonical SMILES for 1-deuteriocyclohexene is [2H]C1=CCCCC1.
What is the InChIKey of 1-deuteriocyclohexene?
The InChIKey is HGCIXCUEYOPUTN-MICDWDOJSA-N. The full InChI is InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2/i1D.
What are the key properties of 1-deuteriocyclohexene?
1-deuteriocyclohexene has a molecular weight of 83.15 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuteriocyclohexene is sourced from PubChem (CID 91181716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).