CID 164579168

C4H7OSi — CID 164579168

IUPAC—
SMILESCCC(=O)C[Si]
InChIInChI=1S/C4H7OSi/c1-2-4(5)3-6/h2-3H2,1H3
InChIKeyWXOUOPLZJKYCQX-UHFFFAOYSA-N
MW99.19 g/mol
LogP0.55
Rot. Bonds2

About CID 164579168

CID 164579168 (PubChem CID 164579168) has the molecular formula C4H7OSi and a molecular weight of 99.19 g/mol.

Molecular Properties

Compound NameCID 164579168
PubChem CID164579168
Molecular FormulaC4H7OSi
Molecular Weight99.19 g/mol
Exact Mass99.03
IUPAC Name—
SMILESCCC(=O)C[Si]
InChIInChI=1S/C4H7OSi/c1-2-4(5)3-6/h2-3H2,1H3
InChIKeyWXOUOPLZJKYCQX-UHFFFAOYSA-N
XLogP0.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.19
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 164579168?
The IUPAC name of CID 164579168 (CID 164579168) is not available.
What is the SMILES notation for CID 164579168?
The canonical SMILES for CID 164579168 is CCC(=O)C[Si].
What is the InChIKey of CID 164579168?
The InChIKey is WXOUOPLZJKYCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7OSi/c1-2-4(5)3-6/h2-3H2,1H3.
What are the key properties of CID 164579168?
CID 164579168 has a molecular weight of 99.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164579168 is sourced from PubChem (CID 164579168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).