CID 54325145

C9H21O2Si — CID 54325145

IUPAC—
SMILESC[Si](C)OC(CCO)C(C)(C)C
InChIInChI=1S/C9H21O2Si/c1-9(2,3)8(6-7-10)11-12(4)5/h8,10H,6-7H2,1-5H3
InChIKeySTKRPEKDVBDJAP-UHFFFAOYSA-N
MW189.35 g/mol
LogP2.05
Rot. Bonds4

About CID 54325145

CID 54325145 (PubChem CID 54325145) has the molecular formula C9H21O2Si and a molecular weight of 189.35 g/mol.

Molecular Properties

Compound NameCID 54325145
PubChem CID54325145
Molecular FormulaC9H21O2Si
Molecular Weight189.35 g/mol
Exact Mass189.13
IUPAC Name—
SMILESC[Si](C)OC(CCO)C(C)(C)C
InChIInChI=1S/C9H21O2Si/c1-9(2,3)8(6-7-10)11-12(4)5/h8,10H,6-7H2,1-5H3
InChIKeySTKRPEKDVBDJAP-UHFFFAOYSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 54325145 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 54325145?
The IUPAC name of CID 54325145 (CID 54325145) is not available.
What is the SMILES notation for CID 54325145?
The canonical SMILES for CID 54325145 is C[Si](C)OC(CCO)C(C)(C)C.
What is the InChIKey of CID 54325145?
The InChIKey is STKRPEKDVBDJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O2Si/c1-9(2,3)8(6-7-10)11-12(4)5/h8,10H,6-7H2,1-5H3.
What are the key properties of CID 54325145?
CID 54325145 has a molecular weight of 189.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54325145 is sourced from PubChem (CID 54325145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).