CID 59999828

C16H19O2Si — CID 59999828

IUPAC—
SMILESCCCCCC[Si]1Oc2cc3ccccc3cc2O1
InChIInChI=1S/C16H19O2Si/c1-2-3-4-7-10-19-17-15-11-13-8-5-6-9-14(13)12-16(15)18-19/h5-6,8-9,11-12H,2-4,7,10H2,1H3
InChIKeyDOFOHVXUAFXUDQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.68
Rot. Bonds5

About CID 59999828

CID 59999828 (PubChem CID 59999828) has the molecular formula C16H19O2Si and a molecular weight of 271.41 g/mol.

Molecular Properties

Compound NameCID 59999828
PubChem CID59999828
Molecular FormulaC16H19O2Si
Molecular Weight271.41 g/mol
Exact Mass271.12
IUPAC Name—
SMILESCCCCCC[Si]1Oc2cc3ccccc3cc2O1
InChIInChI=1S/C16H19O2Si/c1-2-3-4-7-10-19-17-15-11-13-8-5-6-9-14(13)12-16(15)18-19/h5-6,8-9,11-12H,2-4,7,10H2,1H3
InChIKeyDOFOHVXUAFXUDQ-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 59999828?
The IUPAC name of CID 59999828 (CID 59999828) is not available.
What is the SMILES notation for CID 59999828?
The canonical SMILES for CID 59999828 is CCCCCC[Si]1Oc2cc3ccccc3cc2O1.
What is the InChIKey of CID 59999828?
The InChIKey is DOFOHVXUAFXUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2Si/c1-2-3-4-7-10-19-17-15-11-13-8-5-6-9-14(13)12-16(15)18-19/h5-6,8-9,11-12H,2-4,7,10H2,1H3.
What are the key properties of CID 59999828?
CID 59999828 has a molecular weight of 271.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59999828 is sourced from PubChem (CID 59999828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).