(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal

C14H30O6Si — CID 11067244

IUPAC(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal
SMILESCOCO[C@H](C=O)[C@@H](CO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C14H30O6Si/c1-14(2,3)21(6,7)20-9-13(19-11-17-5)12(8-15)18-10-16-4/h8,12-13H,9-11H2,1-7H3/t12-,13-/m1/s1
InChIKeyXIECECGGJGFMEY-CHWSQXEVSA-N
MW322.47 g/mol
LogP2.19
Rot. Bonds11

About (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal

(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal (PubChem CID 11067244) has the molecular formula C14H30O6Si and a molecular weight of 322.47 g/mol. Its IUPAC name is (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal.

Molecular Properties

Compound Name(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal
PubChem CID11067244
Molecular FormulaC14H30O6Si
Molecular Weight322.47 g/mol
Exact Mass322.18
IUPAC Name(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal
SMILESCOCO[C@H](C=O)[C@@H](CO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C14H30O6Si/c1-14(2,3)21(6,7)20-9-13(19-11-17-5)12(8-15)18-10-16-4/h8,12-13H,9-11H2,1-7H3/t12-,13-/m1/s1
InChIKeyXIECECGGJGFMEY-CHWSQXEVSA-N
XLogP2.19
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal?
The IUPAC name of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal (CID 11067244) is (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal.
What is the SMILES notation for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal?
The canonical SMILES for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal is COCO[C@H](C=O)[C@@H](CO[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal?
The InChIKey is XIECECGGJGFMEY-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H30O6Si/c1-14(2,3)21(6,7)20-9-13(19-11-17-5)12(8-15)18-10-16-4/h8,12-13H,9-11H2,1-7H3/t12-,13-/m1/s1.
What are the key properties of (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal?
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal has a molecular weight of 322.47 g/mol, XLogP of 2.19, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal is sourced from PubChem (CID 11067244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).