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

C24H34O6Si — CID 11374252

IUPAC(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal
SMILESCOCO[C@H](C=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C24H34O6Si/c1-24(2,3)31(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-17-23(29-19-27-5)22(16-25)28-18-26-4/h6-16,22-23H,17-19H2,1-5H3/t22-,23-/m1/s1
InChIKeyWNGCKHAUEQZELL-DHIUTWEWSA-N
MW446.62 g/mol
LogP2.74
Rot. Bonds13

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

(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal (PubChem CID 11374252) has the molecular formula C24H34O6Si and a molecular weight of 446.62 g/mol. Its IUPAC name is (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal.

Molecular Properties

Compound Name(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal
PubChem CID11374252
Molecular FormulaC24H34O6Si
Molecular Weight446.62 g/mol
Exact Mass446.21
IUPAC Name(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal
SMILESCOCO[C@H](C=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C24H34O6Si/c1-24(2,3)31(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-17-23(29-19-27-5)22(16-25)28-18-26-4/h6-16,22-23H,17-19H2,1-5H3/t22-,23-/m1/s1
InChIKeyWNGCKHAUEQZELL-DHIUTWEWSA-N
XLogP2.74
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 52.74
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(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal?
The IUPAC name of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal (CID 11374252) is (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal.
What is the SMILES notation for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal?
The canonical SMILES for (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal is COCO[C@H](C=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC.
What is the InChIKey of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal?
The InChIKey is WNGCKHAUEQZELL-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H34O6Si/c1-24(2,3)31(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-17-23(29-19-27-5)22(16-25)28-18-26-4/h6-16,22-23H,17-19H2,1-5H3/t22-,23-/m1/s1.
What are the key properties of (2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal?
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal has a molecular weight of 446.62 g/mol, XLogP of 2.74, 13 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(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butanal is sourced from PubChem (CID 11374252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).