(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde

C10H20O3Si — CID 11356378

IUPAC(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]1C=O
InChIInChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)12-7-9-8(6-11)13-9/h6,8-9H,7H2,1-5H3/t8-,9-/m1/s1
InChIKeyZZEAXSVHLYHJBB-RKDXNWHRSA-N
MW216.35 g/mol
LogP1.97
Rot. Bonds4

About (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde

(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde (PubChem CID 11356378) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
PubChem CID11356378
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]1C=O
InChIInChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)12-7-9-8(6-11)13-9/h6,8-9H,7H2,1-5H3/t8-,9-/m1/s1
InChIKeyZZEAXSVHLYHJBB-RKDXNWHRSA-N
XLogP1.97
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.97
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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Related Compounds

methyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
CID 10105987
(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 13841080
(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 46193206
methyl (2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
CID 101113539
methyl (2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
CID 13788211
(2R,3S)-Ethyl 3-(((tert-butyldimethylsilyl)oxy)methyl)oxirane-2-carboxylate
CID 13788224
(2S,3R)-3-(trimethylsilyloxymethyl)oxirane-2-carbaldehyde
CID 57285550
(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 124011382
2-[2-[Tert-butyl(dimethyl)silyl]oxyethoxy]cyclopropane-1-carbaldehyde
CID 176012919
ethyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
CID 11311521
methyl (2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
CID 13788210
(2S,3S)-3-({[Tert-butyl(dimethyl)silyl]oxy}methyl)-2-oxiranecarbaldehyde
CID 21604451

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The IUPAC name of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde (CID 11356378) is (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]1C=O.
What is the InChIKey of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
The InChIKey is ZZEAXSVHLYHJBB-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)12-7-9-8(6-11)13-9/h6,8-9H,7H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde?
(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde has a molecular weight of 216.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 11356378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).