CID 20583768

C9H18NO2Si — CID 20583768

IUPAC
SMILESCC(C)C1(C)OC(CO[Si])CN1C
InChIInChI=1S/C9H18NO2Si/c1-7(2)9(3)10(4)5-8(12-9)6-11-13/h7-8H,5-6H2,1-4H3
InChIKeyHMTSYWBUJGQRNQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.79
Rot. Bonds3

About CID 20583768

CID 20583768 (PubChem CID 20583768) has the molecular formula C9H18NO2Si and a molecular weight of 200.33 g/mol.

Molecular Properties

Compound NameCID 20583768
PubChem CID20583768
Molecular FormulaC9H18NO2Si
Molecular Weight200.33 g/mol
Exact Mass200.11
IUPAC Name
SMILESCC(C)C1(C)OC(CO[Si])CN1C
InChIInChI=1S/C9H18NO2Si/c1-7(2)9(3)10(4)5-8(12-9)6-11-13/h7-8H,5-6H2,1-4H3
InChIKeyHMTSYWBUJGQRNQ-UHFFFAOYSA-N
XLogP0.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 20583768?
The IUPAC name of CID 20583768 (CID 20583768) is not available.
What is the SMILES notation for CID 20583768?
The canonical SMILES for CID 20583768 is CC(C)C1(C)OC(CO[Si])CN1C.
What is the InChIKey of CID 20583768?
The InChIKey is HMTSYWBUJGQRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2Si/c1-7(2)9(3)10(4)5-8(12-9)6-11-13/h7-8H,5-6H2,1-4H3.
What are the key properties of CID 20583768?
CID 20583768 has a molecular weight of 200.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20583768 is sourced from PubChem (CID 20583768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).