CID 54406171

C16H25O5Si — CID 54406171

IUPAC—
SMILESCCCC(=O)OC1=C(CO[Si])C(=O)OC(C(C)(C)C)C1(C)C
InChIInChI=1S/C16H25O5Si/c1-7-8-11(17)20-12-10(9-19-22)13(18)21-14(15(2,3)4)16(12,5)6/h14H,7-9H2,1-6H3
InChIKeyPZIPIGCKSGGLBN-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.68
Rot. Bonds5

About CID 54406171

CID 54406171 (PubChem CID 54406171) has the molecular formula C16H25O5Si and a molecular weight of 325.46 g/mol.

Molecular Properties

Compound NameCID 54406171
PubChem CID54406171
Molecular FormulaC16H25O5Si
Molecular Weight325.46 g/mol
Exact Mass325.15
IUPAC Name—
SMILESCCCC(=O)OC1=C(CO[Si])C(=O)OC(C(C)(C)C)C1(C)C
InChIInChI=1S/C16H25O5Si/c1-7-8-11(17)20-12-10(9-19-22)13(18)21-14(15(2,3)4)16(12,5)6/h14H,7-9H2,1-6H3
InChIKeyPZIPIGCKSGGLBN-UHFFFAOYSA-N
XLogP2.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 54406171 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 54406171?
The IUPAC name of CID 54406171 (CID 54406171) is not available.
What is the SMILES notation for CID 54406171?
The canonical SMILES for CID 54406171 is CCCC(=O)OC1=C(CO[Si])C(=O)OC(C(C)(C)C)C1(C)C.
What is the InChIKey of CID 54406171?
The InChIKey is PZIPIGCKSGGLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O5Si/c1-7-8-11(17)20-12-10(9-19-22)13(18)21-14(15(2,3)4)16(12,5)6/h14H,7-9H2,1-6H3.
What are the key properties of CID 54406171?
CID 54406171 has a molecular weight of 325.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54406171 is sourced from PubChem (CID 54406171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).