hydroxy(dimethyl)silane;octadecaneperoxoic acid

C20H44O4Si — CID 175440120

IUPAChydroxy(dimethyl)silane;octadecaneperoxoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)OO.C[SiH](C)O
InChIInChI=1S/C18H36O3.C2H8OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20;1-4(2)3/h20H,2-17H2,1H3;3-4H,1-2H3
InChIKeyLQQWINXHFKCIKK-UHFFFAOYSA-N
MW376.65 g/mol
LogP6.23
Rot. Bonds16

About hydroxy(dimethyl)silane;octadecaneperoxoic acid

hydroxy(dimethyl)silane;octadecaneperoxoic acid (PubChem CID 175440120) has the molecular formula C20H44O4Si and a molecular weight of 376.65 g/mol. Its IUPAC name is hydroxy(dimethyl)silane;octadecaneperoxoic acid.

Molecular Properties

Compound Namehydroxy(dimethyl)silane;octadecaneperoxoic acid
PubChem CID175440120
Molecular FormulaC20H44O4Si
Molecular Weight376.65 g/mol
Exact Mass376.30
IUPAC Namehydroxy(dimethyl)silane;octadecaneperoxoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)OO.C[SiH](C)O
InChIInChI=1S/C18H36O3.C2H8OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20;1-4(2)3/h20H,2-17H2,1H3;3-4H,1-2H3
InChIKeyLQQWINXHFKCIKK-UHFFFAOYSA-N
XLogP6.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.65
LogP ≤ 56.23
H-Bond Donors ≤ 52
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

tetradecaneperoxoic acid;titanium
CID 87908201
butaneperoxoic acid;octadecaneperoxoic acid
CID 175012796
lithium;hydride;octadecaneperoxoic acid
CID 173037900
magnesium;alumane;hydride;octadecaneperoxoic acid
CID 173057605
magnesium;alumane;docosaneperoxoic acid;hydride
CID 173369321
butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid
CID 175089027
6-(decylamino)-6-oxohexaneperoxoic acid
CID 159894455
hexane-1,2,3,4,5,6-hexol;octadecaneperoxoic acid
CID 174464487
dodecanoyl dodecanoate;ethanol
CID 157135932
henicosanoyl docosanoate
CID 175302110
heptadecanoyl heptadecaneperoxoate
CID 53438513
hexatriacontanoyl heptatriacontanoate
CID 135353262

Frequently Asked Questions

What is the IUPAC name of hydroxy(dimethyl)silane;octadecaneperoxoic acid?
The IUPAC name of hydroxy(dimethyl)silane;octadecaneperoxoic acid (CID 175440120) is hydroxy(dimethyl)silane;octadecaneperoxoic acid.
What is the SMILES notation for hydroxy(dimethyl)silane;octadecaneperoxoic acid?
The canonical SMILES for hydroxy(dimethyl)silane;octadecaneperoxoic acid is CCCCCCCCCCCCCCCCCC(=O)OO.C[SiH](C)O.
What is the InChIKey of hydroxy(dimethyl)silane;octadecaneperoxoic acid?
The InChIKey is LQQWINXHFKCIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3.C2H8OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20;1-4(2)3/h20H,2-17H2,1H3;3-4H,1-2H3.
What are the key properties of hydroxy(dimethyl)silane;octadecaneperoxoic acid?
hydroxy(dimethyl)silane;octadecaneperoxoic acid has a molecular weight of 376.65 g/mol, XLogP of 6.23, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(dimethyl)silane;octadecaneperoxoic acid is sourced from PubChem (CID 175440120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).