(2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde

C7H14O3Si — CID 57285550

IUPAC(2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde
SMILESC[Si](C)(C)OC[C@H]1O[C@@H]1C=O
InChIInChI=1S/C7H14O3Si/c1-11(2,3)9-5-7-6(4-8)10-7/h4,6-7H,5H2,1-3H3/t6-,7-/m1/s1
InChIKeyDMIOXNTVODDKOV-RNFRBKRXSA-N
MW174.27 g/mol
LogP0.80
Rot. Bonds4

About (2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde

(2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde (PubChem CID 57285550) has the molecular formula C7H14O3Si and a molecular weight of 174.27 g/mol. Its IUPAC name is (2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde
PubChem CID57285550
Molecular FormulaC7H14O3Si
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Name(2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde
SMILESC[Si](C)(C)OC[C@H]1O[C@@H]1C=O
InChIInChI=1S/C7H14O3Si/c1-11(2,3)9-5-7-6(4-8)10-7/h4,6-7H,5H2,1-3H3/t6-,7-/m1/s1
InChIKeyDMIOXNTVODDKOV-RNFRBKRXSA-N
XLogP0.80
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde?
The IUPAC name of (2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde (CID 57285550) is (2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde.
What is the SMILES notation for (2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde?
The canonical SMILES for (2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde is C[Si](C)(C)OC[C@H]1O[C@@H]1C=O.
What is the InChIKey of (2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde?
The InChIKey is DMIOXNTVODDKOV-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14O3Si/c1-11(2,3)9-5-7-6(4-8)10-7/h4,6-7H,5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde?
(2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde has a molecular weight of 174.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde is sourced from PubChem (CID 57285550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).