1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde

C6H10O — CID 118229883

IUPAC1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde
SMILES[2H]C1([2H])CCC([2H])([2H])C1([2H])C=O
InChIInChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2/i3D2,4D2,6D
InChIKeyVELDYOPRLMJFIK-JMFBVLFLSA-N
MW103.18 g/mol
LogP1.38
Rot. Bonds1

About 1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde

1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde (PubChem CID 118229883) has the molecular formula C6H10O and a molecular weight of 103.18 g/mol. Its IUPAC name is 1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde
PubChem CID118229883
Molecular FormulaC6H10O
Molecular Weight103.18 g/mol
Exact Mass103.10
IUPAC Name1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde
SMILES[2H]C1([2H])CCC([2H])([2H])C1([2H])C=O
InChIInChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2/i3D2,4D2,6D
InChIKeyVELDYOPRLMJFIK-JMFBVLFLSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde?
The IUPAC name of 1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde (CID 118229883) is 1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde.
What is the SMILES notation for 1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde?
The canonical SMILES for 1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde is [2H]C1([2H])CCC([2H])([2H])C1([2H])C=O.
What is the InChIKey of 1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde?
The InChIKey is VELDYOPRLMJFIK-JMFBVLFLSA-N. The full InChI is InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2/i3D2,4D2,6D.
What are the key properties of 1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde?
1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde has a molecular weight of 103.18 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,5,5-pentadeuteriocyclopentane-1-carbaldehyde is sourced from PubChem (CID 118229883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).