CID 66775138

C16H18OSi — CID 66775138

IUPAC—
SMILESCCO[Si]CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18OSi/c1-2-17-18-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyAGSVWVGVQFHXQU-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.89
Rot. Bonds6

About CID 66775138

CID 66775138 (PubChem CID 66775138) has the molecular formula C16H18OSi and a molecular weight of 254.41 g/mol.

Molecular Properties

Compound NameCID 66775138
PubChem CID66775138
Molecular FormulaC16H18OSi
Molecular Weight254.41 g/mol
Exact Mass254.11
IUPAC Name—
SMILESCCO[Si]CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18OSi/c1-2-17-18-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyAGSVWVGVQFHXQU-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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 66775138?
The IUPAC name of CID 66775138 (CID 66775138) is not available.
What is the SMILES notation for CID 66775138?
The canonical SMILES for CID 66775138 is CCO[Si]CC(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 66775138?
The InChIKey is AGSVWVGVQFHXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OSi/c1-2-17-18-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3.
What are the key properties of CID 66775138?
CID 66775138 has a molecular weight of 254.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66775138 is sourced from PubChem (CID 66775138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).