2-cyclopropyl-2-methoxyacetaldehyde

C6H10O2 — CID 83826166

IUPAC2-cyclopropyl-2-methoxyacetaldehyde
SMILESCOC(C=O)C1CC1
InChIInChI=1S/C6H10O2/c1-8-6(4-7)5-2-3-5/h4-6H,2-3H2,1H3
InChIKeyBDDBRBBXVPPHJL-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.61
Rot. Bonds3

About 2-cyclopropyl-2-methoxyacetaldehyde

2-cyclopropyl-2-methoxyacetaldehyde (PubChem CID 83826166) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxyacetaldehyde
PubChem CID83826166
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-cyclopropyl-2-methoxyacetaldehyde
SMILESCOC(C=O)C1CC1
InChIInChI=1S/C6H10O2/c1-8-6(4-7)5-2-3-5/h4-6H,2-3H2,1H3
InChIKeyBDDBRBBXVPPHJL-UHFFFAOYSA-N
XLogP0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.61
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-cyclopropyl-2-methoxyacetaldehyde?
The IUPAC name of 2-cyclopropyl-2-methoxyacetaldehyde (CID 83826166) is 2-cyclopropyl-2-methoxyacetaldehyde.
What is the SMILES notation for 2-cyclopropyl-2-methoxyacetaldehyde?
The canonical SMILES for 2-cyclopropyl-2-methoxyacetaldehyde is COC(C=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxyacetaldehyde?
The InChIKey is BDDBRBBXVPPHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-8-6(4-7)5-2-3-5/h4-6H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-2-methoxyacetaldehyde?
2-cyclopropyl-2-methoxyacetaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxyacetaldehyde is sourced from PubChem (CID 83826166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).