(E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal

C20H42O2Si2 — CID 102307236

IUPAC(E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal
SMILESCCC/C=C/[C@H]([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C20H42O2Si2/c1-10-14-15-16-19(24(11-2,12-3)13-4)18(17-21)22-23(8,9)20(5,6)7/h15-19H,10-14H2,1-9H3/b16-15+/t18-,19-/m1/s1
InChIKeyKCPMSMSRPIAPNU-OONVKKPXSA-N
MW370.73 g/mol
LogP6.81
Rot. Bonds11

About (E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal

(E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal (PubChem CID 102307236) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is (E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal.

Molecular Properties

Compound Name(E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal
PubChem CID102307236
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Name(E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal
SMILESCCC/C=C/[C@H]([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C20H42O2Si2/c1-10-14-15-16-19(24(11-2,12-3)13-4)18(17-21)22-23(8,9)20(5,6)7/h15-19H,10-14H2,1-9H3/b16-15+/t18-,19-/m1/s1
InChIKeyKCPMSMSRPIAPNU-OONVKKPXSA-N
XLogP6.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal?
The IUPAC name of (E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal (CID 102307236) is (E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal.
What is the SMILES notation for (E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal?
The canonical SMILES for (E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal is CCC/C=C/[C@H]([C@@H](C=O)O[Si](C)(C)C(C)(C)C)[Si](CC)(CC)CC.
What is the InChIKey of (E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal?
The InChIKey is KCPMSMSRPIAPNU-OONVKKPXSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-10-14-15-16-19(24(11-2,12-3)13-4)18(17-21)22-23(8,9)20(5,6)7/h15-19H,10-14H2,1-9H3/b16-15+/t18-,19-/m1/s1.
What are the key properties of (E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal?
(E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal has a molecular weight of 370.73 g/mol, XLogP of 6.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloct-4-enal is sourced from PubChem (CID 102307236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).