decyl(trimethoxy)silane;methanethioic S-acid

C14H32O4SSi — CID 175033379

IUPACdecyl(trimethoxy)silane;methanethioic S-acid
SMILESCCCCCCCCCC[Si](OC)(OC)OC.O=CS
InChIInChI=1S/C13H30O3Si.CH2OS/c1-5-6-7-8-9-10-11-12-13-17(14-2,15-3)16-4;2-1-3/h5-13H2,1-4H3;1H,(H,2,3)
InChIKeyZMULNIOBKRWYNV-UHFFFAOYSA-N
MW324.56 g/mol
LogP4.11
Rot. Bonds12

About decyl(trimethoxy)silane;methanethioic S-acid

decyl(trimethoxy)silane;methanethioic S-acid (PubChem CID 175033379) has the molecular formula C14H32O4SSi and a molecular weight of 324.56 g/mol. Its IUPAC name is decyl(trimethoxy)silane;methanethioic S-acid.

Molecular Properties

Compound Namedecyl(trimethoxy)silane;methanethioic S-acid
PubChem CID175033379
Molecular FormulaC14H32O4SSi
Molecular Weight324.56 g/mol
Exact Mass324.18
IUPAC Namedecyl(trimethoxy)silane;methanethioic S-acid
SMILESCCCCCCCCCC[Si](OC)(OC)OC.O=CS
InChIInChI=1S/C13H30O3Si.CH2OS/c1-5-6-7-8-9-10-11-12-13-17(14-2,15-3)16-4;2-1-3/h5-13H2,1-4H3;1H,(H,2,3)
InChIKeyZMULNIOBKRWYNV-UHFFFAOYSA-N
XLogP4.11
TPSA44.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
azane;trimethoxy(pentyl)silane
CID 19608931
methanethioic S-acid;octyl-tri(propan-2-yloxy)silane
CID 175341627
[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
CID 168727663
decyl(trimethoxy)silane;trimethoxysilane
CID 158226172
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020

Frequently Asked Questions

What is the IUPAC name of decyl(trimethoxy)silane;methanethioic S-acid?
The IUPAC name of decyl(trimethoxy)silane;methanethioic S-acid (CID 175033379) is decyl(trimethoxy)silane;methanethioic S-acid.
What is the SMILES notation for decyl(trimethoxy)silane;methanethioic S-acid?
The canonical SMILES for decyl(trimethoxy)silane;methanethioic S-acid is CCCCCCCCCC[Si](OC)(OC)OC.O=CS.
What is the InChIKey of decyl(trimethoxy)silane;methanethioic S-acid?
The InChIKey is ZMULNIOBKRWYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si.CH2OS/c1-5-6-7-8-9-10-11-12-13-17(14-2,15-3)16-4;2-1-3/h5-13H2,1-4H3;1H,(H,2,3).
What are the key properties of decyl(trimethoxy)silane;methanethioic S-acid?
decyl(trimethoxy)silane;methanethioic S-acid has a molecular weight of 324.56 g/mol, XLogP of 4.11, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(trimethoxy)silane;methanethioic S-acid is sourced from PubChem (CID 175033379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).