CID 102382208

C9H16O2Si+ — CID 102382208

IUPAC—
SMILESC[Si](C)(C)[O+]C1=CC(=O)CCC1
InChIInChI=1S/C9H16O2Si/c1-12(2,3)11-9-6-4-5-8(10)7-9/h7H,4-6H2,1-3H3/q+1
InChIKeyCVEINJJAWQMOQQ-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.47
Rot. Bonds2

About CID 102382208

CID 102382208 (PubChem CID 102382208) has the molecular formula C9H16O2Si+ and a molecular weight of 184.31 g/mol.

Molecular Properties

Compound NameCID 102382208
PubChem CID102382208
Molecular FormulaC9H16O2Si+
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name—
SMILESC[Si](C)(C)[O+]C1=CC(=O)CCC1
InChIInChI=1S/C9H16O2Si/c1-12(2,3)11-9-6-4-5-8(10)7-9/h7H,4-6H2,1-3H3/q+1
InChIKeyCVEINJJAWQMOQQ-UHFFFAOYSA-N
XLogP2.47
TPSA28.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102382208?
The IUPAC name of CID 102382208 (CID 102382208) is not available.
What is the SMILES notation for CID 102382208?
The canonical SMILES for CID 102382208 is C[Si](C)(C)[O+]C1=CC(=O)CCC1.
What is the InChIKey of CID 102382208?
The InChIKey is CVEINJJAWQMOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-12(2,3)11-9-6-4-5-8(10)7-9/h7H,4-6H2,1-3H3/q+1.
What are the key properties of CID 102382208?
CID 102382208 has a molecular weight of 184.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102382208 is sourced from PubChem (CID 102382208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).