CID 173197860

C4H9O2Si — CID 173197860

IUPAC—
SMILESCC(C)C(=O)O[SiH2]
InChIInChI=1S/C4H9O2Si/c1-3(2)4(5)6-7/h3H,7H2,1-2H3
InChIKeyFBRRGPAINPNUKY-UHFFFAOYSA-N
MW117.20 g/mol
LogP-0.27
Rot. Bonds1

About CID 173197860

CID 173197860 (PubChem CID 173197860) has the molecular formula C4H9O2Si and a molecular weight of 117.20 g/mol.

Molecular Properties

Compound NameCID 173197860
PubChem CID173197860
Molecular FormulaC4H9O2Si
Molecular Weight117.20 g/mol
Exact Mass117.04
IUPAC Name—
SMILESCC(C)C(=O)O[SiH2]
InChIInChI=1S/C4H9O2Si/c1-3(2)4(5)6-7/h3H,7H2,1-2H3
InChIKeyFBRRGPAINPNUKY-UHFFFAOYSA-N
XLogP-0.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methylpropanoate;titanium
CID 174633551
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574
2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
3-aminopropyl 2-methylpropanoate
CID 59078098
acetyl 2-methylpropaneperoxoate
CID 12601440
2-methylpropanoic acid;ruthenium
CID 88674751
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
CID 87878530
CID 87878530
2-methylpropanoyl 3-aminobutanoate
CID 174497316
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
bis(propan-2-yl 2-methylpropaneperoxoate);zirconium
CID 88861451

Frequently Asked Questions

What is the IUPAC name of CID 173197860?
The IUPAC name of CID 173197860 (CID 173197860) is not available.
What is the SMILES notation for CID 173197860?
The canonical SMILES for CID 173197860 is CC(C)C(=O)O[SiH2].
What is the InChIKey of CID 173197860?
The InChIKey is FBRRGPAINPNUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2Si/c1-3(2)4(5)6-7/h3H,7H2,1-2H3.
What are the key properties of CID 173197860?
CID 173197860 has a molecular weight of 117.20 g/mol, XLogP of -0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173197860 is sourced from PubChem (CID 173197860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).