[1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate

C27H56O4Si — CID 141228094

IUPAC[1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OO[Si](C)(C)C(O)CC
InChIInChI=1S/C27H56O4Si/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(28)30-31-32(3,4)27(29)6-2/h27,29H,5-25H2,1-4H3
InChIKeyJLHMFRFUVUTAQL-UHFFFAOYSA-N
MW472.83 g/mol
LogP8.80
Rot. Bonds24

About [1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate

[1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate (PubChem CID 141228094) has the molecular formula C27H56O4Si and a molecular weight of 472.83 g/mol. Its IUPAC name is [1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate.

Molecular Properties

Compound Name[1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate
PubChem CID141228094
Molecular FormulaC27H56O4Si
Molecular Weight472.83 g/mol
Exact Mass472.39
IUPAC Name[1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OO[Si](C)(C)C(O)CC
InChIInChI=1S/C27H56O4Si/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(28)30-31-32(3,4)27(29)6-2/h27,29H,5-25H2,1-4H3
InChIKeyJLHMFRFUVUTAQL-UHFFFAOYSA-N
XLogP8.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.83
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

dodecanoyl dodecaneperoxoate;propan-2-ol
CID 174989441
octanoyl tridecaneperoxoate
CID 141014591
heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
amino nonaneperoxoate
CID 174849727
butanoyl octaneperoxoate
CID 155389347
undecanoyloxy undecaneperoxoate
CID 88844001
(2-amino-3-methylpentanoyl) hexadecaneperoxoate
CID 140514033
2-hydroxybutyl dodecanoate
CID 22965532
[dimethyl(propan-2-yl)silyl] hexadecanoate
CID 628588
2-methylbutanoyl hexaneperoxoate
CID 155737850
aminomethyl octadecanoate;propane-1,1-diol
CID 22361595

Frequently Asked Questions

What is the IUPAC name of [1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate?
The IUPAC name of [1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate (CID 141228094) is [1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate.
What is the SMILES notation for [1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate?
The canonical SMILES for [1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate is CCCCCCCCCCCCCCCCCCCCCC(=O)OO[Si](C)(C)C(O)CC.
What is the InChIKey of [1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate?
The InChIKey is JLHMFRFUVUTAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O4Si/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(28)30-31-32(3,4)27(29)6-2/h27,29H,5-25H2,1-4H3.
What are the key properties of [1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate?
[1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate has a molecular weight of 472.83 g/mol, XLogP of 8.80, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxypropyl(dimethyl)silyl] docosaneperoxoate is sourced from PubChem (CID 141228094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).