10-trimethoxysilyldecanethioic S-acid

C13H28O4SSi — CID 87672120

IUPAC10-trimethoxysilyldecanethioic S-acid
SMILESCO[Si](CCCCCCCCCC(=O)S)(OC)OC
InChIInChI=1S/C13H28O4SSi/c1-15-19(16-2,17-3)12-10-8-6-4-5-7-9-11-13(14)18/h4-12H2,1-3H3,(H,14,18)
InChIKeyXUOOFELEOTYOHD-UHFFFAOYSA-N
MW308.52 g/mol
LogP3.44
Rot. Bonds13

About 10-trimethoxysilyldecanethioic S-acid

10-trimethoxysilyldecanethioic S-acid (PubChem CID 87672120) has the molecular formula C13H28O4SSi and a molecular weight of 308.52 g/mol. Its IUPAC name is 10-trimethoxysilyldecanethioic S-acid.

Molecular Properties

Compound Name10-trimethoxysilyldecanethioic S-acid
PubChem CID87672120
Molecular FormulaC13H28O4SSi
Molecular Weight308.52 g/mol
Exact Mass308.15
IUPAC Name10-trimethoxysilyldecanethioic S-acid
SMILESCO[Si](CCCCCCCCCC(=O)S)(OC)OC
InChIInChI=1S/C13H28O4SSi/c1-15-19(16-2,17-3)12-10-8-6-4-5-7-9-11-13(14)18/h4-12H2,1-3H3,(H,14,18)
InChIKeyXUOOFELEOTYOHD-UHFFFAOYSA-N
XLogP3.44
TPSA44.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 53.44
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': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

8-triethoxysilyloctanethioic S-acid
CID 87672935
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
2-methyl-12-trimethoxysilyldodec-1-en-3-one
CID 176884271
6-trimethoxysilylhexan-3-one
CID 154355591
(hexyl-methoxy-octadecanoyloxysilyl) octadecanoate
CID 175034042
(decyl-methoxy-octadecanoyloxysilyl) octadecanoate
CID 175034146
8-[diethoxy(methoxy)silyl]octan-4-one
CID 162505528
N-ethyl-5-trimethoxysilylpentanamide;rutherfordium
CID 162463980
16-trimethoxysilylhexadecan-1-ol
CID 87683754
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
6-trimethoxysilylhexan-1-ol
CID 22497813
26-trimethoxysilylhexacosan-1-ol
CID 87686281

Frequently Asked Questions

What is the IUPAC name of 10-trimethoxysilyldecanethioic S-acid?
The IUPAC name of 10-trimethoxysilyldecanethioic S-acid (CID 87672120) is 10-trimethoxysilyldecanethioic S-acid.
What is the SMILES notation for 10-trimethoxysilyldecanethioic S-acid?
The canonical SMILES for 10-trimethoxysilyldecanethioic S-acid is CO[Si](CCCCCCCCCC(=O)S)(OC)OC.
What is the InChIKey of 10-trimethoxysilyldecanethioic S-acid?
The InChIKey is XUOOFELEOTYOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4SSi/c1-15-19(16-2,17-3)12-10-8-6-4-5-7-9-11-13(14)18/h4-12H2,1-3H3,(H,14,18).
What are the key properties of 10-trimethoxysilyldecanethioic S-acid?
10-trimethoxysilyldecanethioic S-acid has a molecular weight of 308.52 g/mol, XLogP of 3.44, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-trimethoxysilyldecanethioic S-acid is sourced from PubChem (CID 87672120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).