(3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal

C26H54O3Si — CID 11640795

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal
SMILESCCCCCCCCCCCCCCCC[C@@](C)(CC=O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(5,23-24-27)28-29-30(6,7)25(2,3)4/h24H,8-23H2,1-7H3/t26-/m0/s1
InChIKeyHVJVPTUTGNKNKL-SANMLTNESA-N
MW442.80 g/mol
LogP9.16
Rot. Bonds20

About (3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal

(3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal (PubChem CID 11640795) has the molecular formula C26H54O3Si and a molecular weight of 442.80 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal
PubChem CID11640795
Molecular FormulaC26H54O3Si
Molecular Weight442.80 g/mol
Exact Mass442.38
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal
SMILESCCCCCCCCCCCCCCCC[C@@](C)(CC=O)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(5,23-24-27)28-29-30(6,7)25(2,3)4/h24H,8-23H2,1-7H3/t26-/m0/s1
InChIKeyHVJVPTUTGNKNKL-SANMLTNESA-N
XLogP9.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.80
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal (CID 11640795) is (3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal is CCCCCCCCCCCCCCCC[C@@](C)(CC=O)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal?
The InChIKey is HVJVPTUTGNKNKL-SANMLTNESA-N. The full InChI is InChI=1S/C26H54O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(5,23-24-27)28-29-30(6,7)25(2,3)4/h24H,8-23H2,1-7H3/t26-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal?
(3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal has a molecular weight of 442.80 g/mol, XLogP of 9.16, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]peroxy-3-methylnonadecanal is sourced from PubChem (CID 11640795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).