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

C7H12O2 — CID 130765324

IUPAC(2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde
SMILESCCC[C@]1(C)O[C@H]1C=O
InChIInChI=1S/C7H12O2/c1-3-4-7(2)6(5-8)9-7/h5-6H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyYUUFCVCJJFHGSR-BQBZGAKWSA-N
MW128.17 g/mol
LogP1.14
Rot. Bonds3

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

(2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde (PubChem CID 130765324) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde
PubChem CID130765324
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde
SMILESCCC[C@]1(C)O[C@H]1C=O
InChIInChI=1S/C7H12O2/c1-3-4-7(2)6(5-8)9-7/h5-6H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyYUUFCVCJJFHGSR-BQBZGAKWSA-N
XLogP1.14
TPSA29.60 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 ≤ 51.14
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'}

Analyze (2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-2,3-Epoxyhexanal
CID 5324180
(2R,3S)-3-propyloxirane-2-carbaldehyde
CID 11094576
3-Propyloxirane-2-carbaldehyde
CID 13939519
(2R)-3,3-diethyloxirane-2-carbaldehyde
CID 53927334
3,3-Diethyloxirane-2-carbaldehyde
CID 23045407
(2R,3S)-3-ethyl-2-methyloxirane-2-carbaldehyde
CID 14831303
(2R,3S)-2-ethyl-3-propyloxirane-2-carbaldehyde
CID 124705591
(2S,3S)-3-methyl-3-propyloxirane-2-carbaldehyde
CID 135037788
6-Oxabicyclo[3.1.0]hexane-1-carbaldehyde
CID 12872199
2-Butyloxirane-2-carbaldehyde
CID 13722909
3-Ethyl-2-methyloxirane-2-carbaldehyde
CID 14831302
2-Butyloxirane-2-carbaldehyde;hydrate
CID 20446545

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde?
The IUPAC name of (2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde (CID 130765324) is (2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde?
The canonical SMILES for (2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde is CCC[C@]1(C)O[C@H]1C=O.
What is the InChIKey of (2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde?
The InChIKey is YUUFCVCJJFHGSR-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-7(2)6(5-8)9-7/h5-6H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde?
(2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde has a molecular weight of 128.17 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-3-propyloxirane-2-carbaldehyde is sourced from PubChem (CID 130765324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).