1-[diethoxy(propyl)silyl]oxyethanethiol

C9H22O3SSi — CID 87087792

IUPAC1-[diethoxy(propyl)silyl]oxyethanethiol
SMILESCCC[Si](OCC)(OCC)OC(C)S
InChIInChI=1S/C9H22O3SSi/c1-5-8-14(10-6-2,11-7-3)12-9(4)13/h9,13H,5-8H2,1-4H3
InChIKeyDTJFVCBVXBSPPX-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.70
Rot. Bonds8

About 1-[diethoxy(propyl)silyl]oxyethanethiol

1-[diethoxy(propyl)silyl]oxyethanethiol (PubChem CID 87087792) has the molecular formula C9H22O3SSi and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[diethoxy(propyl)silyl]oxyethanethiol.

Molecular Properties

Compound Name1-[diethoxy(propyl)silyl]oxyethanethiol
PubChem CID87087792
Molecular FormulaC9H22O3SSi
Molecular Weight238.42 g/mol
Exact Mass238.11
IUPAC Name1-[diethoxy(propyl)silyl]oxyethanethiol
SMILESCCC[Si](OCC)(OCC)OC(C)S
InChIInChI=1S/C9H22O3SSi/c1-5-8-14(10-6-2,11-7-3)12-9(4)13/h9,13H,5-8H2,1-4H3
InChIKeyDTJFVCBVXBSPPX-UHFFFAOYSA-N
XLogP2.70
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[diethoxy(propyl)silyl]oxyethanethiol?
The IUPAC name of 1-[diethoxy(propyl)silyl]oxyethanethiol (CID 87087792) is 1-[diethoxy(propyl)silyl]oxyethanethiol.
What is the SMILES notation for 1-[diethoxy(propyl)silyl]oxyethanethiol?
The canonical SMILES for 1-[diethoxy(propyl)silyl]oxyethanethiol is CCC[Si](OCC)(OCC)OC(C)S.
What is the InChIKey of 1-[diethoxy(propyl)silyl]oxyethanethiol?
The InChIKey is DTJFVCBVXBSPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3SSi/c1-5-8-14(10-6-2,11-7-3)12-9(4)13/h9,13H,5-8H2,1-4H3.
What are the key properties of 1-[diethoxy(propyl)silyl]oxyethanethiol?
1-[diethoxy(propyl)silyl]oxyethanethiol has a molecular weight of 238.42 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxy(propyl)silyl]oxyethanethiol is sourced from PubChem (CID 87087792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).