(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde

C12H24O3Si — CID 10955808

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1C=O
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-10-7-6-8-14-11(10)9-13/h9-11H,6-8H2,1-5H3/t10-,11+/m0/s1
InChIKeyXJYMGMSOIMTGOA-WDEREUQCSA-N
MW244.41 g/mol
LogP2.75
Rot. Bonds3

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde (PubChem CID 10955808) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde
PubChem CID10955808
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1C=O
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-10-7-6-8-14-11(10)9-13/h9-11H,6-8H2,1-5H3/t10-,11+/m0/s1
InChIKeyXJYMGMSOIMTGOA-WDEREUQCSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.75
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'}

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Related Compounds

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde
CID 23248665
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one
CID 134831361
(2R,3R,4S,5S)-3-(tert-butyldimethylsilyloxy)-4-methoxy-5-methyltetrahydro-2H-pyran-2-carbaldehyde
CID 11833079
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one
CID 15836736
3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-4-methoxy-5-methyl-2H-pyran-2-carboxaldehyde
CID 19699692
(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde
CID 22848911
(2S,3R,4S,5S)-4-methoxy-5-methyl-3-(tert-butyldimethylsilyloxy)tetrahydro-2H-pyran-2-carbaldehyde
CID 57231418
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-oxan-2-yl]acetaldehyde
CID 60088515
(2R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethoxy]-4-methyloxane-2-carbaldehyde
CID 88482008
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde
CID 88485719
6-[Tert-butyl(dimethyl)silyl]oxane-2-carbaldehyde
CID 141719020
3-[Tert-butyl(dimethyl)silyl]oxy-2-methyloxan-4-one
CID 144002567

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde (CID 10955808) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1C=O.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde?
The InChIKey is XJYMGMSOIMTGOA-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-10-7-6-8-14-11(10)9-13/h9-11H,6-8H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde has a molecular weight of 244.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbaldehyde is sourced from PubChem (CID 10955808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).