propyl 2-(trimethylsilylmethylsulfanyl)acetate

C9H20O2SSi — CID 21138656

IUPACpropyl 2-(trimethylsilylmethylsulfanyl)acetate
SMILESCCCOC(=O)CSC[Si](C)(C)C
InChIInChI=1S/C9H20O2SSi/c1-5-6-11-9(10)7-12-8-13(2,3)4/h5-8H2,1-4H3
InChIKeyKQTLVPVZBXQEOO-UHFFFAOYSA-N
MW220.41 g/mol
LogP2.55
Rot. Bonds6

About propyl 2-(trimethylsilylmethylsulfanyl)acetate

propyl 2-(trimethylsilylmethylsulfanyl)acetate (PubChem CID 21138656) has the molecular formula C9H20O2SSi and a molecular weight of 220.41 g/mol. Its IUPAC name is propyl 2-(trimethylsilylmethylsulfanyl)acetate.

Molecular Properties

Compound Namepropyl 2-(trimethylsilylmethylsulfanyl)acetate
PubChem CID21138656
Molecular FormulaC9H20O2SSi
Molecular Weight220.41 g/mol
Exact Mass220.10
IUPAC Namepropyl 2-(trimethylsilylmethylsulfanyl)acetate
SMILESCCCOC(=O)CSC[Si](C)(C)C
InChIInChI=1S/C9H20O2SSi/c1-5-6-11-9(10)7-12-8-13(2,3)4/h5-8H2,1-4H3
InChIKeyKQTLVPVZBXQEOO-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(trimethylsilylmethylsulfanyl)acetate?
The IUPAC name of propyl 2-(trimethylsilylmethylsulfanyl)acetate (CID 21138656) is propyl 2-(trimethylsilylmethylsulfanyl)acetate.
What is the SMILES notation for propyl 2-(trimethylsilylmethylsulfanyl)acetate?
The canonical SMILES for propyl 2-(trimethylsilylmethylsulfanyl)acetate is CCCOC(=O)CSC[Si](C)(C)C.
What is the InChIKey of propyl 2-(trimethylsilylmethylsulfanyl)acetate?
The InChIKey is KQTLVPVZBXQEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2SSi/c1-5-6-11-9(10)7-12-8-13(2,3)4/h5-8H2,1-4H3.
What are the key properties of propyl 2-(trimethylsilylmethylsulfanyl)acetate?
propyl 2-(trimethylsilylmethylsulfanyl)acetate has a molecular weight of 220.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(trimethylsilylmethylsulfanyl)acetate is sourced from PubChem (CID 21138656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).