(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial

C32H50O6Si2 — CID 23248807

IUPAC(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial
SMILESCC(C)(C)[Si](C)(C)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)OCc1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C32H50O6Si2/c1-31(2,3)39(7,8)37-29(27(21-33)35-23-25-17-13-11-14-18-25)30(38-40(9,10)32(4,5)6)28(22-34)36-24-26-19-15-12-16-20-26/h11-22,27-30H,23-24H2,1-10H3/t27-,28-,29+,30+/m0/s1
InChIKeyGMXAANSAOIVTAW-VZNYXHRGSA-N
MW586.92 g/mol
LogP7.34
Rot. Bonds15

About (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial

(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial (PubChem CID 23248807) has the molecular formula C32H50O6Si2 and a molecular weight of 586.92 g/mol. Its IUPAC name is (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial.

Molecular Properties

Compound Name(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial
PubChem CID23248807
Molecular FormulaC32H50O6Si2
Molecular Weight586.92 g/mol
Exact Mass586.31
IUPAC Name(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial
SMILESCC(C)(C)[Si](C)(C)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)OCc1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C32H50O6Si2/c1-31(2,3)39(7,8)37-29(27(21-33)35-23-25-17-13-11-14-18-25)30(38-40(9,10)32(4,5)6)28(22-34)36-24-26-19-15-12-16-20-26/h11-22,27-30H,23-24H2,1-10H3/t27-,28-,29+,30+/m0/s1
InChIKeyGMXAANSAOIVTAW-VZNYXHRGSA-N
XLogP7.34
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.92
LogP ≤ 57.34
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial?
The IUPAC name of (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial (CID 23248807) is (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial.
What is the SMILES notation for (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial?
The canonical SMILES for (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial is CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)OCc1ccccc1)[C@H](C=O)OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial?
The InChIKey is GMXAANSAOIVTAW-VZNYXHRGSA-N. The full InChI is InChI=1S/C32H50O6Si2/c1-31(2,3)39(7,8)37-29(27(21-33)35-23-25-17-13-11-14-18-25)30(38-40(9,10)32(4,5)6)28(22-34)36-24-26-19-15-12-16-20-26/h11-22,27-30H,23-24H2,1-10H3/t27-,28-,29+,30+/m0/s1.
What are the key properties of (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial?
(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial has a molecular weight of 586.92 g/mol, XLogP of 7.34, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-bis(phenylmethoxy)hexanedial is sourced from PubChem (CID 23248807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).