CID 136865288

C16H18OSi — CID 136865288

IUPAC—
SMILESCCCCOc1ccc([Si]c2ccccc2)cc1
InChIInChI=1S/C16H18OSi/c1-2-3-13-17-14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3
InChIKeyCGCGLEXSSIDAKJ-UHFFFAOYSA-N
MW254.41 g/mol
LogP2.52
Rot. Bonds6

About CID 136865288

CID 136865288 (PubChem CID 136865288) has the molecular formula C16H18OSi and a molecular weight of 254.41 g/mol.

Molecular Properties

Compound NameCID 136865288
PubChem CID136865288
Molecular FormulaC16H18OSi
Molecular Weight254.41 g/mol
Exact Mass254.11
IUPAC Name—
SMILESCCCCOc1ccc([Si]c2ccccc2)cc1
InChIInChI=1S/C16H18OSi/c1-2-3-13-17-14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3
InChIKeyCGCGLEXSSIDAKJ-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136865288?
The IUPAC name of CID 136865288 (CID 136865288) is not available.
What is the SMILES notation for CID 136865288?
The canonical SMILES for CID 136865288 is CCCCOc1ccc([Si]c2ccccc2)cc1.
What is the InChIKey of CID 136865288?
The InChIKey is CGCGLEXSSIDAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OSi/c1-2-3-13-17-14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3.
What are the key properties of CID 136865288?
CID 136865288 has a molecular weight of 254.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136865288 is sourced from PubChem (CID 136865288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).