(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal

C11H24O4Si — CID 11054016

IUPAC(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal
SMILESCOCO[C@H](C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O4Si/c1-11(2,3)16(5,6)15-8-10(7-12)14-9-13-4/h7,10H,8-9H2,1-6H3/t10-/m1/s1
InChIKeyNKWFYSLNEGHPEW-SNVBAGLBSA-N
MW248.39 g/mol
LogP2.20
Rot. Bonds7

About (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal

(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal (PubChem CID 11054016) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal
PubChem CID11054016
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal
SMILESCOCO[C@H](C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O4Si/c1-11(2,3)16(5,6)15-8-10(7-12)14-9-13-4/h7,10H,8-9H2,1-6H3/t10-/m1/s1
InChIKeyNKWFYSLNEGHPEW-SNVBAGLBSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(r)-2-(t-Butyldimethylsiloxymethoxy)propanal
CID 10889391
2-(Methoxymethoxy)-3-oxopropyl (2-(trimethylsilyl)ethyl) carbonate
CID 44511293
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)-1-trimethylsilylbutan-1-one
CID 135049504
3-o-t-Butyldimethylsilyl-2-o-methyl-rac-glyceraldehyde
CID 54307504
2-(3-Trimethoxysilylpropoxy)oxirane-2-carbaldehyde
CID 87637539
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
CID 10636213
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
CID 10754961
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
CID 10754962
(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-(2-oxoethoxy)propanal
CID 10850089
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal
CID 10870507
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanoate
CID 10912867
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal
CID 11067244

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal?
The IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal (CID 11054016) is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal.
What is the SMILES notation for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal?
The canonical SMILES for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal is COCO[C@H](C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal?
The InChIKey is NKWFYSLNEGHPEW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-11(2,3)16(5,6)15-8-10(7-12)14-9-13-4/h7,10H,8-9H2,1-6H3/t10-/m1/s1.
What are the key properties of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal?
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal has a molecular weight of 248.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal is sourced from PubChem (CID 11054016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).