2-cyclohexyl-2-methoxyacetaldehyde

C9H16O2 — CID 83826504

IUPAC2-cyclohexyl-2-methoxyacetaldehyde
SMILESCOC(C=O)C1CCCCC1
InChIInChI=1S/C9H16O2/c1-11-9(7-10)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKeyBJDZWBQRBDMRCH-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.78
Rot. Bonds3

About 2-cyclohexyl-2-methoxyacetaldehyde

2-cyclohexyl-2-methoxyacetaldehyde (PubChem CID 83826504) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxyacetaldehyde
PubChem CID83826504
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name2-cyclohexyl-2-methoxyacetaldehyde
SMILESCOC(C=O)C1CCCCC1
InChIInChI=1S/C9H16O2/c1-11-9(7-10)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKeyBJDZWBQRBDMRCH-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxyacetaldehyde?
The IUPAC name of 2-cyclohexyl-2-methoxyacetaldehyde (CID 83826504) is 2-cyclohexyl-2-methoxyacetaldehyde.
What is the SMILES notation for 2-cyclohexyl-2-methoxyacetaldehyde?
The canonical SMILES for 2-cyclohexyl-2-methoxyacetaldehyde is COC(C=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methoxyacetaldehyde?
The InChIKey is BJDZWBQRBDMRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-11-9(7-10)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-2-methoxyacetaldehyde?
2-cyclohexyl-2-methoxyacetaldehyde has a molecular weight of 156.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxyacetaldehyde is sourced from PubChem (CID 83826504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).