CID 141200007

C20H25O2Si — CID 141200007

IUPAC—
SMILESCCCO[Si](OCCC)c1cccc(C=Cc2ccccc2)c1
InChIInChI=1S/C20H25O2Si/c1-3-15-21-23(22-16-4-2)20-12-8-11-19(17-20)14-13-18-9-6-5-7-10-18/h5-14,17H,3-4,15-16H2,1-2H3
InChIKeyZKHWYEFOFANHSD-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.41
Rot. Bonds9

About CID 141200007

CID 141200007 (PubChem CID 141200007) has the molecular formula C20H25O2Si and a molecular weight of 325.50 g/mol.

Molecular Properties

Compound NameCID 141200007
PubChem CID141200007
Molecular FormulaC20H25O2Si
Molecular Weight325.50 g/mol
Exact Mass325.16
IUPAC Name—
SMILESCCCO[Si](OCCC)c1cccc(C=Cc2ccccc2)c1
InChIInChI=1S/C20H25O2Si/c1-3-15-21-23(22-16-4-2)20-12-8-11-19(17-20)14-13-18-9-6-5-7-10-18/h5-14,17H,3-4,15-16H2,1-2H3
InChIKeyZKHWYEFOFANHSD-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 141200007?
The IUPAC name of CID 141200007 (CID 141200007) is not available.
What is the SMILES notation for CID 141200007?
The canonical SMILES for CID 141200007 is CCCO[Si](OCCC)c1cccc(C=Cc2ccccc2)c1.
What is the InChIKey of CID 141200007?
The InChIKey is ZKHWYEFOFANHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O2Si/c1-3-15-21-23(22-16-4-2)20-12-8-11-19(17-20)14-13-18-9-6-5-7-10-18/h5-14,17H,3-4,15-16H2,1-2H3.
What are the key properties of CID 141200007?
CID 141200007 has a molecular weight of 325.50 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141200007 is sourced from PubChem (CID 141200007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).