(2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde

C6H10O3 — CID 44541819

IUPAC(2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde
SMILESCO[C@@H](C)[C@@H]1O[C@H]1C=O
InChIInChI=1S/C6H10O3/c1-4(8-2)6-5(3-7)9-6/h3-6H,1-2H3/t4-,5-,6-/m0/s1
InChIKeyRRGPZGIJPKARBT-ZLUOBGJFSA-N
MW130.14 g/mol
LogP-0.01
Rot. Bonds3

About (2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde

(2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde (PubChem CID 44541819) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde
PubChem CID44541819
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde
SMILESCO[C@@H](C)[C@@H]1O[C@H]1C=O
InChIInChI=1S/C6H10O3/c1-4(8-2)6-5(3-7)9-6/h3-6H,1-2H3/t4-,5-,6-/m0/s1
InChIKeyRRGPZGIJPKARBT-ZLUOBGJFSA-N
XLogP-0.01
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-propan-2-yloxirane-2-carbaldehyde
CID 131197385
(2R,3S)-3-[(2R)-octadecan-2-yl]oxirane-2-carbaldehyde
CID 45378421
(2S,3S)-3-[(1S,2R)-1-(2-methoxyethoxymethoxy)-2-methylbut-3-enyl]oxirane-2-carbaldehyde
CID 95565609
(2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde
CID 21125809
(2R,3R,5R)-5-methoxy-2-[(1R)-1-methoxyethyl]oxolan-3-ol
CID 15927279
3-tert-butyloxirane-2-carbaldehyde
CID 86067603
(3R,6R)-6-[(4S,7R)-7-[1-[(3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(1-methoxyethyl)oxan-3-yl]oxyethyl]-5,6-dihydroxy-3-(hydroxymethyl)oxepan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxane-3-carbaldehyde
CID 163781490
cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde
CID 45083538
2-bromo-4-methoxypentan-3-ol;2-(1-methoxyethyl)-3-methyloxirane
CID 159840609
(2R)-2-[(1R)-1-methoxyethyl]oxirane
CID 124579088
(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
CID 11746885
(4R,5R)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 119087566

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde?
The IUPAC name of (2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde (CID 44541819) is (2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde is CO[C@@H](C)[C@@H]1O[C@H]1C=O.
What is the InChIKey of (2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde?
The InChIKey is RRGPZGIJPKARBT-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H10O3/c1-4(8-2)6-5(3-7)9-6/h3-6H,1-2H3/t4-,5-,6-/m0/s1.
What are the key properties of (2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde?
(2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde has a molecular weight of 130.14 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 44541819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).