5-dimethoxysilyloxypentane-1-thiol

C7H18O3SSi — CID 123286191

IUPAC5-dimethoxysilyloxypentane-1-thiol
SMILESCO[SiH](OC)OCCCCCS
InChIInChI=1S/C7H18O3SSi/c1-8-12(9-2)10-6-4-3-5-7-11/h11-12H,3-7H2,1-2H3
InChIKeyUCDGLWVOLJBGMI-UHFFFAOYSA-N
MW210.37 g/mol
LogP1.11
Rot. Bonds8

About 5-dimethoxysilyloxypentane-1-thiol

5-dimethoxysilyloxypentane-1-thiol (PubChem CID 123286191) has the molecular formula C7H18O3SSi and a molecular weight of 210.37 g/mol. Its IUPAC name is 5-dimethoxysilyloxypentane-1-thiol.

Molecular Properties

Compound Name5-dimethoxysilyloxypentane-1-thiol
PubChem CID123286191
Molecular FormulaC7H18O3SSi
Molecular Weight210.37 g/mol
Exact Mass210.07
IUPAC Name5-dimethoxysilyloxypentane-1-thiol
SMILESCO[SiH](OC)OCCCCCS
InChIInChI=1S/C7H18O3SSi/c1-8-12(9-2)10-6-4-3-5-7-11/h11-12H,3-7H2,1-2H3
InChIKeyUCDGLWVOLJBGMI-UHFFFAOYSA-N
XLogP1.11
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 51.11
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': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-dimethoxysilyloxypentane-1-thiol?
The IUPAC name of 5-dimethoxysilyloxypentane-1-thiol (CID 123286191) is 5-dimethoxysilyloxypentane-1-thiol.
What is the SMILES notation for 5-dimethoxysilyloxypentane-1-thiol?
The canonical SMILES for 5-dimethoxysilyloxypentane-1-thiol is CO[SiH](OC)OCCCCCS.
What is the InChIKey of 5-dimethoxysilyloxypentane-1-thiol?
The InChIKey is UCDGLWVOLJBGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3SSi/c1-8-12(9-2)10-6-4-3-5-7-11/h11-12H,3-7H2,1-2H3.
What are the key properties of 5-dimethoxysilyloxypentane-1-thiol?
5-dimethoxysilyloxypentane-1-thiol has a molecular weight of 210.37 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxysilyloxypentane-1-thiol is sourced from PubChem (CID 123286191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).