CID 6328576

C9H17O2Si — CID 6328576

IUPAC—
SMILESCOC([Si])(OC)C1CCCCC1
InChIInChI=1S/C9H17O2Si/c1-10-9(12,11-2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyVRHYBPDMFVUXLK-UHFFFAOYSA-N
MW185.32 g/mol
LogP1.68
Rot. Bonds3

About CID 6328576

CID 6328576 (PubChem CID 6328576) has the molecular formula C9H17O2Si and a molecular weight of 185.32 g/mol.

Molecular Properties

Compound NameCID 6328576
PubChem CID6328576
Molecular FormulaC9H17O2Si
Molecular Weight185.32 g/mol
Exact Mass185.10
IUPAC Name—
SMILESCOC([Si])(OC)C1CCCCC1
InChIInChI=1S/C9H17O2Si/c1-10-9(12,11-2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyVRHYBPDMFVUXLK-UHFFFAOYSA-N
XLogP1.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 6328576?
The IUPAC name of CID 6328576 (CID 6328576) is not available.
What is the SMILES notation for CID 6328576?
The canonical SMILES for CID 6328576 is COC([Si])(OC)C1CCCCC1.
What is the InChIKey of CID 6328576?
The InChIKey is VRHYBPDMFVUXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2Si/c1-10-9(12,11-2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of CID 6328576?
CID 6328576 has a molecular weight of 185.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6328576 is sourced from PubChem (CID 6328576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).