2-trimethoxysilylpropanethial

C6H14O3SSi — CID 87594272

IUPAC2-trimethoxysilylpropanethial
SMILESCO[Si](OC)(OC)C(C)C=S
InChIInChI=1S/C6H14O3SSi/c1-6(5-10)11(7-2,8-3)9-4/h5-6H,1-4H3
InChIKeyWMIWYOOALKCJLL-UHFFFAOYSA-N
MW194.33 g/mol
LogP1.25
Rot. Bonds5

About 2-trimethoxysilylpropanethial

2-trimethoxysilylpropanethial (PubChem CID 87594272) has the molecular formula C6H14O3SSi and a molecular weight of 194.33 g/mol. Its IUPAC name is 2-trimethoxysilylpropanethial.

Molecular Properties

Compound Name2-trimethoxysilylpropanethial
PubChem CID87594272
Molecular FormulaC6H14O3SSi
Molecular Weight194.33 g/mol
Exact Mass194.04
IUPAC Name2-trimethoxysilylpropanethial
SMILESCO[Si](OC)(OC)C(C)C=S
InChIInChI=1S/C6H14O3SSi/c1-6(5-10)11(7-2,8-3)9-4/h5-6H,1-4H3
InChIKeyWMIWYOOALKCJLL-UHFFFAOYSA-N
XLogP1.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-4-trimethoxysilylpent-2-enoate
CID 23513483
1,1-dichloropropan-2-yl(trimethoxy)silane
CID 57128304
trimethoxy(pent-4-en-2-yl)silane
CID 87283043
2-trimethoxysilylpropanoic acid
CID 19100244
2-trimethoxysilylpropane-1,1,1-trithiol
CID 176900070
cyclopropane;1-trimethoxysilylethanamine
CID 90021188
[(E)-2-phenylethenyl]silane;trimethoxy-[(E)-4-phenylbut-3-en-2-yl]silane
CID 173039666
hex-5-en-2-yl(trimethoxy)silane
CID 22907711
2-methyl-1-trimethoxysilylbutane-1,3-diamine
CID 174876131
N-methyl-1-trimethoxysilylpropan-1-amine
CID 19607493
[dimethoxy(propan-2-yl)silyl]oxymethanamine
CID 154110052
1-isocyanatoethyl(trimethoxy)silane
CID 22238674

Frequently Asked Questions

What is the IUPAC name of 2-trimethoxysilylpropanethial?
The IUPAC name of 2-trimethoxysilylpropanethial (CID 87594272) is 2-trimethoxysilylpropanethial.
What is the SMILES notation for 2-trimethoxysilylpropanethial?
The canonical SMILES for 2-trimethoxysilylpropanethial is CO[Si](OC)(OC)C(C)C=S.
What is the InChIKey of 2-trimethoxysilylpropanethial?
The InChIKey is WMIWYOOALKCJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3SSi/c1-6(5-10)11(7-2,8-3)9-4/h5-6H,1-4H3.
What are the key properties of 2-trimethoxysilylpropanethial?
2-trimethoxysilylpropanethial has a molecular weight of 194.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethoxysilylpropanethial is sourced from PubChem (CID 87594272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).