(2R,3R)-3-propyloxirane-2-carbaldehyde

C6H10O2 — CID 101237657

IUPAC(2R,3R)-3-propyloxirane-2-carbaldehyde
SMILESCCC[C@H]1O[C@H]1C=O
InChIInChI=1S/C6H10O2/c1-2-3-5-6(4-7)8-5/h4-6H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyJHKVGIOBTDDGMJ-RITPCOANSA-N
MW114.14 g/mol
LogP0.75
Rot. Bonds3

About (2R,3R)-3-propyloxirane-2-carbaldehyde

(2R,3R)-3-propyloxirane-2-carbaldehyde (PubChem CID 101237657) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2R,3R)-3-propyloxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-3-propyloxirane-2-carbaldehyde
PubChem CID101237657
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2R,3R)-3-propyloxirane-2-carbaldehyde
SMILESCCC[C@H]1O[C@H]1C=O
InChIInChI=1S/C6H10O2/c1-2-3-5-6(4-7)8-5/h4-6H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyJHKVGIOBTDDGMJ-RITPCOANSA-N
XLogP0.75
TPSA29.60 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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-propyloxirane-2-carbaldehyde?
The IUPAC name of (2R,3R)-3-propyloxirane-2-carbaldehyde (CID 101237657) is (2R,3R)-3-propyloxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3R)-3-propyloxirane-2-carbaldehyde?
The canonical SMILES for (2R,3R)-3-propyloxirane-2-carbaldehyde is CCC[C@H]1O[C@H]1C=O.
What is the InChIKey of (2R,3R)-3-propyloxirane-2-carbaldehyde?
The InChIKey is JHKVGIOBTDDGMJ-RITPCOANSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-5-6(4-7)8-5/h4-6H,2-3H2,1H3/t5-,6+/m1/s1.
What are the key properties of (2R,3R)-3-propyloxirane-2-carbaldehyde?
(2R,3R)-3-propyloxirane-2-carbaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-propyloxirane-2-carbaldehyde is sourced from PubChem (CID 101237657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).