ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium

C8H17O2RfSSi- — CID 59919203

IUPACethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium
SMILES[CH2-]COC(=O)CSC[Si](C)(C)C.[Rf]
InChIInChI=1S/C8H17O2SSi.Rf/c1-5-10-8(9)6-11-7-12(2,3)4;/h1,5-7H2,2-4H3;/q-1;
InChIKeyNFPXWCQQRBZKHH-UHFFFAOYSA-N
MW472.38 g/mol
LogP1.97
Rot. Bonds5

About ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium

ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium (PubChem CID 59919203) has the molecular formula C8H17O2RfSSi- and a molecular weight of 472.38 g/mol. Its IUPAC name is ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium.

Molecular Properties

Compound Nameethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium
PubChem CID59919203
Molecular FormulaC8H17O2RfSSi-
Molecular Weight472.38 g/mol
Exact Mass472.19
IUPAC Nameethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium
SMILES[CH2-]COC(=O)CSC[Si](C)(C)C.[Rf]
InChIInChI=1S/C8H17O2SSi.Rf/c1-5-10-8(9)6-11-7-12(2,3)4;/h1,5-7H2,2-4H3;/q-1;
InChIKeyNFPXWCQQRBZKHH-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium?
The IUPAC name of ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium (CID 59919203) is ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium.
What is the SMILES notation for ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium?
The canonical SMILES for ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium is [CH2-]COC(=O)CSC[Si](C)(C)C.[Rf].
What is the InChIKey of ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium?
The InChIKey is NFPXWCQQRBZKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2SSi.Rf/c1-5-10-8(9)6-11-7-12(2,3)4;/h1,5-7H2,2-4H3;/q-1;.
What are the key properties of ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium?
ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium has a molecular weight of 472.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trimethylsilylmethylsulfanyl)acetate;rutherfordium is sourced from PubChem (CID 59919203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).