CID 21072163

C13H19O2Si — CID 21072163

IUPAC—
SMILESCO[Si](OC)c1ccccc1C1CCCC1
InChIInChI=1S/C13H19O2Si/c1-14-16(15-2)13-10-6-5-9-12(13)11-7-3-4-8-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyJQLYKUSMHVLVCJ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.33
Rot. Bonds4

About CID 21072163

CID 21072163 (PubChem CID 21072163) has the molecular formula C13H19O2Si and a molecular weight of 235.38 g/mol.

Molecular Properties

Compound NameCID 21072163
PubChem CID21072163
Molecular FormulaC13H19O2Si
Molecular Weight235.38 g/mol
Exact Mass235.12
IUPAC Name—
SMILESCO[Si](OC)c1ccccc1C1CCCC1
InChIInChI=1S/C13H19O2Si/c1-14-16(15-2)13-10-6-5-9-12(13)11-7-3-4-8-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyJQLYKUSMHVLVCJ-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.33
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 21072163?
The IUPAC name of CID 21072163 (CID 21072163) is not available.
What is the SMILES notation for CID 21072163?
The canonical SMILES for CID 21072163 is CO[Si](OC)c1ccccc1C1CCCC1.
What is the InChIKey of CID 21072163?
The InChIKey is JQLYKUSMHVLVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O2Si/c1-14-16(15-2)13-10-6-5-9-12(13)11-7-3-4-8-11/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of CID 21072163?
CID 21072163 has a molecular weight of 235.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21072163 is sourced from PubChem (CID 21072163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).