CID 18968605

C9H21O2Si — CID 18968605

IUPAC—
SMILESCCO[Si](CC(C)CC)OCC
InChIInChI=1S/C9H21O2Si/c1-5-9(4)8-12(10-6-2)11-7-3/h9H,5-8H2,1-4H3
InChIKeyJXOIFFIQNQBOEE-UHFFFAOYSA-N
MW189.35 g/mol
LogP2.59
Rot. Bonds7

About CID 18968605

CID 18968605 (PubChem CID 18968605) has the molecular formula C9H21O2Si and a molecular weight of 189.35 g/mol.

Molecular Properties

Compound NameCID 18968605
PubChem CID18968605
Molecular FormulaC9H21O2Si
Molecular Weight189.35 g/mol
Exact Mass189.13
IUPAC Name—
SMILESCCO[Si](CC(C)CC)OCC
InChIInChI=1S/C9H21O2Si/c1-5-9(4)8-12(10-6-2)11-7-3/h9H,5-8H2,1-4H3
InChIKeyJXOIFFIQNQBOEE-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 18968605?
The IUPAC name of CID 18968605 (CID 18968605) is not available.
What is the SMILES notation for CID 18968605?
The canonical SMILES for CID 18968605 is CCO[Si](CC(C)CC)OCC.
What is the InChIKey of CID 18968605?
The InChIKey is JXOIFFIQNQBOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O2Si/c1-5-9(4)8-12(10-6-2)11-7-3/h9H,5-8H2,1-4H3.
What are the key properties of CID 18968605?
CID 18968605 has a molecular weight of 189.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18968605 is sourced from PubChem (CID 18968605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).