2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid

C7H16O3SSi — CID 140737417

IUPAC2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid
SMILESCO[Si](C)(C)CCSCC(=O)O
InChIInChI=1S/C7H16O3SSi/c1-10-12(2,3)5-4-11-6-7(8)9/h4-6H2,1-3H3,(H,8,9)
InChIKeyYPPDMNYUYQEBFT-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.66
Rot. Bonds6

About 2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid

2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid (PubChem CID 140737417) has the molecular formula C7H16O3SSi and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid
PubChem CID140737417
Molecular FormulaC7H16O3SSi
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid
SMILESCO[Si](C)(C)CCSCC(=O)O
InChIInChI=1S/C7H16O3SSi/c1-10-12(2,3)5-4-11-6-7(8)9/h4-6H2,1-3H3,(H,8,9)
InChIKeyYPPDMNYUYQEBFT-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid (CID 140737417) is 2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid is CO[Si](C)(C)CCSCC(=O)O.
What is the InChIKey of 2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid?
The InChIKey is YPPDMNYUYQEBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3SSi/c1-10-12(2,3)5-4-11-6-7(8)9/h4-6H2,1-3H3,(H,8,9).
What are the key properties of 2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid?
2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid has a molecular weight of 208.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methoxy(dimethyl)silyl]ethylsulfanyl]acetic acid is sourced from PubChem (CID 140737417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).