(2R,3R)-3-propan-2-yloxirane-2-carbaldehyde

C6H10O2 — CID 131197385

IUPAC(2R,3R)-3-propan-2-yloxirane-2-carbaldehyde
SMILESCC(C)[C@H]1O[C@H]1C=O
InChIInChI=1S/C6H10O2/c1-4(2)6-5(3-7)8-6/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyFUCKGPSADJNYQS-NTSWFWBYSA-N
MW114.14 g/mol
LogP0.61
Rot. Bonds2

About (2R,3R)-3-propan-2-yloxirane-2-carbaldehyde

(2R,3R)-3-propan-2-yloxirane-2-carbaldehyde (PubChem CID 131197385) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2R,3R)-3-propan-2-yloxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-3-propan-2-yloxirane-2-carbaldehyde
PubChem CID131197385
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2R,3R)-3-propan-2-yloxirane-2-carbaldehyde
SMILESCC(C)[C@H]1O[C@H]1C=O
InChIInChI=1S/C6H10O2/c1-4(2)6-5(3-7)8-6/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyFUCKGPSADJNYQS-NTSWFWBYSA-N
XLogP0.61
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde
CID 44541819
(2R,3S)-3-[(2R)-octadecan-2-yl]oxirane-2-carbaldehyde
CID 45378421
(2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde
CID 21125809
(2S,3S)-3-[(1S,2R)-1-(2-methoxyethoxymethoxy)-2-methylbut-3-enyl]oxirane-2-carbaldehyde
CID 95565609
(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate
CID 174899887
(2R,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxirane-2-carbaldehyde
CID 11746885
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
(4R,5R)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 119087566
3-tert-butyloxirane-2-carbaldehyde
CID 86067603
(2R,3S,4R,5S)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775725
(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775785
2,4-di(propan-2-yl)oxetan-3-amine
CID 135394203

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-propan-2-yloxirane-2-carbaldehyde?
The IUPAC name of (2R,3R)-3-propan-2-yloxirane-2-carbaldehyde (CID 131197385) is (2R,3R)-3-propan-2-yloxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3R)-3-propan-2-yloxirane-2-carbaldehyde?
The canonical SMILES for (2R,3R)-3-propan-2-yloxirane-2-carbaldehyde is CC(C)[C@H]1O[C@H]1C=O.
What is the InChIKey of (2R,3R)-3-propan-2-yloxirane-2-carbaldehyde?
The InChIKey is FUCKGPSADJNYQS-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4(2)6-5(3-7)8-6/h3-6H,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2R,3R)-3-propan-2-yloxirane-2-carbaldehyde?
(2R,3R)-3-propan-2-yloxirane-2-carbaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-propan-2-yloxirane-2-carbaldehyde is sourced from PubChem (CID 131197385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).