CID 175053869

C16H21O2Si — CID 175053869

IUPAC—
SMILESCCCO[Si](OCCC)c1ccc2ccccc2c1
InChIInChI=1S/C16H21O2Si/c1-3-11-17-19(18-12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyCZOGQKAHIJUURJ-UHFFFAOYSA-N
MW273.43 g/mol
LogP3.39
Rot. Bonds7

About CID 175053869

CID 175053869 (PubChem CID 175053869) has the molecular formula C16H21O2Si and a molecular weight of 273.43 g/mol.

Molecular Properties

Compound NameCID 175053869
PubChem CID175053869
Molecular FormulaC16H21O2Si
Molecular Weight273.43 g/mol
Exact Mass273.13
IUPAC Name—
SMILESCCCO[Si](OCCC)c1ccc2ccccc2c1
InChIInChI=1S/C16H21O2Si/c1-3-11-17-19(18-12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyCZOGQKAHIJUURJ-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175053869?
The IUPAC name of CID 175053869 (CID 175053869) is not available.
What is the SMILES notation for CID 175053869?
The canonical SMILES for CID 175053869 is CCCO[Si](OCCC)c1ccc2ccccc2c1.
What is the InChIKey of CID 175053869?
The InChIKey is CZOGQKAHIJUURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21O2Si/c1-3-11-17-19(18-12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of CID 175053869?
CID 175053869 has a molecular weight of 273.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175053869 is sourced from PubChem (CID 175053869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).