(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal

C14H30O5Si — CID 10870507

IUPAC(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal
SMILESCOCCOCO[C@@H](CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-14(2,3)20(5,6)19-11-13(7-8-15)18-12-17-10-9-16-4/h8,13H,7,9-12H2,1-6H3/t13-/m0/s1
InChIKeyBSXOEGDDADRWCA-ZDUSSCGKSA-N
MW306.48 g/mol
LogP2.60
Rot. Bonds11

About (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal

(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal (PubChem CID 10870507) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal.

Molecular Properties

Compound Name(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal
PubChem CID10870507
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal
SMILESCOCCOCO[C@@H](CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O5Si/c1-14(2,3)20(5,6)19-11-13(7-8-15)18-12-17-10-9-16-4/h8,13H,7,9-12H2,1-6H3/t13-/m0/s1
InChIKeyBSXOEGDDADRWCA-ZDUSSCGKSA-N
XLogP2.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanal
CID 24806491
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal
CID 25105485
(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal
CID 46944342
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanal
CID 134892479
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 14991887
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde
CID 171558047
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)butanal
CID 10641490
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propanal
CID 11054016
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal
CID 11067244
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybutanal
CID 11128184
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethoxymethoxy)butanal
CID 11347331
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)pentanal
CID 11551510

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal?
The IUPAC name of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal (CID 10870507) is (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal.
What is the SMILES notation for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal?
The canonical SMILES for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal is COCCOCO[C@@H](CC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal?
The InChIKey is BSXOEGDDADRWCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-14(2,3)20(5,6)19-11-13(7-8-15)18-12-17-10-9-16-4/h8,13H,7,9-12H2,1-6H3/t13-/m0/s1.
What are the key properties of (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal?
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal has a molecular weight of 306.48 g/mol, XLogP of 2.60, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal is sourced from PubChem (CID 10870507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).