CID 20583938

C6H13O2Si — CID 20583938

IUPAC
SMILESC[Si](C)COCC1CO1
InChIInChI=1S/C6H13O2Si/c1-9(2)5-7-3-6-4-8-6/h6H,3-5H2,1-2H3
InChIKeyXUXYRWMBISEJBC-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.70
Rot. Bonds4

About CID 20583938

CID 20583938 (PubChem CID 20583938) has the molecular formula C6H13O2Si and a molecular weight of 145.25 g/mol.

Molecular Properties

Compound NameCID 20583938
PubChem CID20583938
Molecular FormulaC6H13O2Si
Molecular Weight145.25 g/mol
Exact Mass145.07
IUPAC Name
SMILESC[Si](C)COCC1CO1
InChIInChI=1S/C6H13O2Si/c1-9(2)5-7-3-6-4-8-6/h6H,3-5H2,1-2H3
InChIKeyXUXYRWMBISEJBC-UHFFFAOYSA-N
XLogP0.70
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20583938?
The IUPAC name of CID 20583938 (CID 20583938) is not available.
What is the SMILES notation for CID 20583938?
The canonical SMILES for CID 20583938 is C[Si](C)COCC1CO1.
What is the InChIKey of CID 20583938?
The InChIKey is XUXYRWMBISEJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2Si/c1-9(2)5-7-3-6-4-8-6/h6H,3-5H2,1-2H3.
What are the key properties of CID 20583938?
CID 20583938 has a molecular weight of 145.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20583938 is sourced from PubChem (CID 20583938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).