CID 170724386

C9H17O2Si — CID 170724386

IUPAC—
SMILESCC=CC(C[Si])(OCC)OCC
InChIInChI=1S/C9H17O2Si/c1-4-7-9(8-12,10-5-2)11-6-3/h4,7H,5-6,8H2,1-3H3
InChIKeyRTQCXUAHEKXLEG-UHFFFAOYSA-N
MW185.32 g/mol
LogP1.92
Rot. Bonds6

About CID 170724386

CID 170724386 (PubChem CID 170724386) has the molecular formula C9H17O2Si and a molecular weight of 185.32 g/mol.

Molecular Properties

Compound NameCID 170724386
PubChem CID170724386
Molecular FormulaC9H17O2Si
Molecular Weight185.32 g/mol
Exact Mass185.10
IUPAC Name—
SMILESCC=CC(C[Si])(OCC)OCC
InChIInChI=1S/C9H17O2Si/c1-4-7-9(8-12,10-5-2)11-6-3/h4,7H,5-6,8H2,1-3H3
InChIKeyRTQCXUAHEKXLEG-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 51.92
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 170724386?
The IUPAC name of CID 170724386 (CID 170724386) is not available.
What is the SMILES notation for CID 170724386?
The canonical SMILES for CID 170724386 is CC=CC(C[Si])(OCC)OCC.
What is the InChIKey of CID 170724386?
The InChIKey is RTQCXUAHEKXLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2Si/c1-4-7-9(8-12,10-5-2)11-6-3/h4,7H,5-6,8H2,1-3H3.
What are the key properties of CID 170724386?
CID 170724386 has a molecular weight of 185.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170724386 is sourced from PubChem (CID 170724386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).