CID 136913414

C5H11O3Si — CID 136913414

IUPAC—
SMILESCC[Si](OC)OC(C)=O
InChIInChI=1S/C5H11O3Si/c1-4-9(7-3)8-5(2)6/h4H2,1-3H3
InChIKeyPXVLEBRVTINNDL-UHFFFAOYSA-N
MW147.23 g/mol
LogP0.70
Rot. Bonds3

About CID 136913414

CID 136913414 (PubChem CID 136913414) has the molecular formula C5H11O3Si and a molecular weight of 147.23 g/mol.

Molecular Properties

Compound NameCID 136913414
PubChem CID136913414
Molecular FormulaC5H11O3Si
Molecular Weight147.23 g/mol
Exact Mass147.05
IUPAC Name—
SMILESCC[Si](OC)OC(C)=O
InChIInChI=1S/C5H11O3Si/c1-4-9(7-3)8-5(2)6/h4H2,1-3H3
InChIKeyPXVLEBRVTINNDL-UHFFFAOYSA-N
XLogP0.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[methoxy(oxo)silyl] acetate
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methyl acetate;ruthenium
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[ethoxy(methylidene)silyl] acetate;formaldehyde;methane
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triethylstannyl acetate
CID 16682966
CID 136913426
CID 136913426
benzene;methoxymethane;methyl acetate;propane
CID 158395131
methane;methyl acetate
CID 162094565
bismuthane;methyl acetate
CID 174537209
copper;methyl acetate
CID 174340034
methane;methyl acetate
CID 158871569
methyl acetate;titanium
CID 87665287
argon;methyl acetate
CID 169424774

Frequently Asked Questions

What is the IUPAC name of CID 136913414?
The IUPAC name of CID 136913414 (CID 136913414) is not available.
What is the SMILES notation for CID 136913414?
The canonical SMILES for CID 136913414 is CC[Si](OC)OC(C)=O.
What is the InChIKey of CID 136913414?
The InChIKey is PXVLEBRVTINNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3Si/c1-4-9(7-3)8-5(2)6/h4H2,1-3H3.
What are the key properties of CID 136913414?
CID 136913414 has a molecular weight of 147.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136913414 is sourced from PubChem (CID 136913414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).