(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal

C22H48O3Si2 — CID 90274712

IUPAC(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[Si](OC[C@@H](C)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O3Si2/c1-17(2)27(18(3)4,19(5)6)24-16-20(7)21(14-13-15-23)25-26(11,12)22(8,9)10/h15,17-21H,13-14,16H2,1-12H3/t20-,21-/m1/s1
InChIKeyAMHVBCXMNUKPAO-NHCUHLMSSA-N
MW416.80 g/mol
LogP7.18
Rot. Bonds12

About (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal

(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal (PubChem CID 90274712) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal.

Molecular Properties

Compound Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
PubChem CID90274712
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
SMILESCC(C)[Si](OC[C@@H](C)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O3Si2/c1-17(2)27(18(3)4,19(5)6)24-16-20(7)21(14-13-15-23)25-26(11,12)22(8,9)10/h15,17-21H,13-14,16H2,1-12H3/t20-,21-/m1/s1
InChIKeyAMHVBCXMNUKPAO-NHCUHLMSSA-N
XLogP7.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal?
The IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal (CID 90274712) is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal.
What is the SMILES notation for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal?
The canonical SMILES for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal is CC(C)[Si](OC[C@@H](C)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal?
The InChIKey is AMHVBCXMNUKPAO-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-17(2)27(18(3)4,19(5)6)24-16-20(7)21(14-13-15-23)25-26(11,12)22(8,9)10/h15,17-21H,13-14,16H2,1-12H3/t20-,21-/m1/s1.
What are the key properties of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal?
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal has a molecular weight of 416.80 g/mol, XLogP of 7.18, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-tri(propan-2-yl)silyloxyhexanal is sourced from PubChem (CID 90274712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).