CID 162463973

C7H11O4SSi — CID 162463973

IUPAC—
SMILESCCCSC(OC(C)=O)C(=O)O[Si]
InChIInChI=1S/C7H11O4SSi/c1-3-4-12-7(6(9)11-13)10-5(2)8/h7H,3-4H2,1-2H3
InChIKeyXYSVOGJDCIRYTP-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.65
Rot. Bonds5

About CID 162463973

CID 162463973 (PubChem CID 162463973) has the molecular formula C7H11O4SSi and a molecular weight of 219.31 g/mol.

Molecular Properties

Compound NameCID 162463973
PubChem CID162463973
Molecular FormulaC7H11O4SSi
Molecular Weight219.31 g/mol
Exact Mass219.01
IUPAC Name—
SMILESCCCSC(OC(C)=O)C(=O)O[Si]
InChIInChI=1S/C7H11O4SSi/c1-3-4-12-7(6(9)11-13)10-5(2)8/h7H,3-4H2,1-2H3
InChIKeyXYSVOGJDCIRYTP-UHFFFAOYSA-N
XLogP0.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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acetic acid;butyl acetate;propan-2-yl acetate
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3-methyl-2-propylsulfanylbutanoic acid
CID 43188406
1-aminobutyl acetate
CID 22643639
(3R)-3-acetyloxynonanoic acid
CID 54016264
4-amino-2-propylsulfanylbutanoic acid
CID 64695267
3-acetyloxypentanoic acid
CID 22152680
1-acetyloxytetradecyl acetate
CID 88785738
(313C)heptan-4-yl acetate
CID 117065532
ethyl 3-oxo-2-(propylsulfanylmethyl)butanoate
CID 138376815
(2S)-2-acetyloxydodecanoic acid
CID 90302969
2-acetyloxyhexadecanoic acid
CID 15599534

Frequently Asked Questions

What is the IUPAC name of CID 162463973?
The IUPAC name of CID 162463973 (CID 162463973) is not available.
What is the SMILES notation for CID 162463973?
The canonical SMILES for CID 162463973 is CCCSC(OC(C)=O)C(=O)O[Si].
What is the InChIKey of CID 162463973?
The InChIKey is XYSVOGJDCIRYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O4SSi/c1-3-4-12-7(6(9)11-13)10-5(2)8/h7H,3-4H2,1-2H3.
What are the key properties of CID 162463973?
CID 162463973 has a molecular weight of 219.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162463973 is sourced from PubChem (CID 162463973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).