(2R)-2-cyclopropyl-2-methoxypropanal

C7H12O2 — CID 124706187

IUPAC(2R)-2-cyclopropyl-2-methoxypropanal
SMILESCO[C@@](C)(C=O)C1CC1
InChIInChI=1S/C7H12O2/c1-7(5-8,9-2)6-3-4-6/h5-6H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyHLXRSKNQTXZRHF-ZETCQYMHSA-N
MW128.17 g/mol
LogP1.00
Rot. Bonds3

About (2R)-2-cyclopropyl-2-methoxypropanal

(2R)-2-cyclopropyl-2-methoxypropanal (PubChem CID 124706187) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-methoxypropanal.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-2-methoxypropanal
PubChem CID124706187
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(2R)-2-cyclopropyl-2-methoxypropanal
SMILESCO[C@@](C)(C=O)C1CC1
InChIInChI=1S/C7H12O2/c1-7(5-8,9-2)6-3-4-6/h5-6H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyHLXRSKNQTXZRHF-ZETCQYMHSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.00
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 (2R)-2-cyclopropyl-2-methoxypropanal?
The IUPAC name of (2R)-2-cyclopropyl-2-methoxypropanal (CID 124706187) is (2R)-2-cyclopropyl-2-methoxypropanal.
What is the SMILES notation for (2R)-2-cyclopropyl-2-methoxypropanal?
The canonical SMILES for (2R)-2-cyclopropyl-2-methoxypropanal is CO[C@@](C)(C=O)C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-2-methoxypropanal?
The InChIKey is HLXRSKNQTXZRHF-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(5-8,9-2)6-3-4-6/h5-6H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-2-methoxypropanal?
(2R)-2-cyclopropyl-2-methoxypropanal has a molecular weight of 128.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-2-methoxypropanal is sourced from PubChem (CID 124706187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).