CID 21266963

C5H9O3Si — CID 21266963

IUPAC—
SMILESCCOC(C)C(=O)O[Si]
InChIInChI=1S/C5H9O3Si/c1-3-7-4(2)5(6)8-9/h4H,3H2,1-2H3
InChIKeyQRRAUYAVDBVPNM-UHFFFAOYSA-N
MW145.21 g/mol
LogP0.04
Rot. Bonds3

About CID 21266963

CID 21266963 (PubChem CID 21266963) has the molecular formula C5H9O3Si and a molecular weight of 145.21 g/mol.

Molecular Properties

Compound NameCID 21266963
PubChem CID21266963
Molecular FormulaC5H9O3Si
Molecular Weight145.21 g/mol
Exact Mass145.03
IUPAC Name—
SMILESCCOC(C)C(=O)O[Si]
InChIInChI=1S/C5H9O3Si/c1-3-7-4(2)5(6)8-9/h4H,3H2,1-2H3
InChIKeyQRRAUYAVDBVPNM-UHFFFAOYSA-N
XLogP0.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 50.04
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

amino 2-ethoxypropanoate
CID 87914402
2-ethoxypropanoic acid;methane
CID 160636954
heptyl 2-ethoxypropanoate
CID 175702782
1-methoxypropan-2-yl 2-ethoxypropanoate
CID 88537715
sodium 2-ethoxypropanoate
CID 141029681
[(2R)-2-ethoxypropanoyl]azanium chloride
CID 163361929
diethyl 2-(2-ethoxypropanoyl)propanedioate
CID 64532812
2-ethoxy-5-methylheptan-3-one
CID 64540469
2-(2,2,2-trifluoroethoxy)ethyl 2-ethoxypropanoate
CID 88537702
cyclopentyl 2-ethoxypropanoate
CID 173270406
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881

Frequently Asked Questions

What is the IUPAC name of CID 21266963?
The IUPAC name of CID 21266963 (CID 21266963) is not available.
What is the SMILES notation for CID 21266963?
The canonical SMILES for CID 21266963 is CCOC(C)C(=O)O[Si].
What is the InChIKey of CID 21266963?
The InChIKey is QRRAUYAVDBVPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3Si/c1-3-7-4(2)5(6)8-9/h4H,3H2,1-2H3.
What are the key properties of CID 21266963?
CID 21266963 has a molecular weight of 145.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21266963 is sourced from PubChem (CID 21266963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).