CID 153300896

C20H35NO5Si2 — CID 153300896

IUPAC—
SMILESCOC(OC)[Si]CCCN1CCC[Si](C)(OC)OC(COc2ccccc2)C1
InChIInChI=1S/C20H35NO5Si2/c1-22-20(23-2)27-14-8-12-21-13-9-15-28(4,24-3)26-19(16-21)17-25-18-10-6-5-7-11-18/h5-7,10-11,19-20H,8-9,12-17H2,1-4H3
InChIKeyJFPNUHCXYHXAKH-UHFFFAOYSA-N
MW425.67 g/mol
LogP2.96
Rot. Bonds11

About CID 153300896

CID 153300896 (PubChem CID 153300896) has the molecular formula C20H35NO5Si2 and a molecular weight of 425.67 g/mol.

Molecular Properties

Compound NameCID 153300896
PubChem CID153300896
Molecular FormulaC20H35NO5Si2
Molecular Weight425.67 g/mol
Exact Mass425.21
IUPAC Name—
SMILESCOC(OC)[Si]CCCN1CCC[Si](C)(OC)OC(COc2ccccc2)C1
InChIInChI=1S/C20H35NO5Si2/c1-22-20(23-2)27-14-8-12-21-13-9-15-28(4,24-3)26-19(16-21)17-25-18-10-6-5-7-11-18/h5-7,10-11,19-20H,8-9,12-17H2,1-4H3
InChIKeyJFPNUHCXYHXAKH-UHFFFAOYSA-N
XLogP2.96
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.67
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 153300896?
The IUPAC name of CID 153300896 (CID 153300896) is not available.
What is the SMILES notation for CID 153300896?
The canonical SMILES for CID 153300896 is COC(OC)[Si]CCCN1CCC[Si](C)(OC)OC(COc2ccccc2)C1.
What is the InChIKey of CID 153300896?
The InChIKey is JFPNUHCXYHXAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO5Si2/c1-22-20(23-2)27-14-8-12-21-13-9-15-28(4,24-3)26-19(16-21)17-25-18-10-6-5-7-11-18/h5-7,10-11,19-20H,8-9,12-17H2,1-4H3.
What are the key properties of CID 153300896?
CID 153300896 has a molecular weight of 425.67 g/mol, XLogP of 2.96, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153300896 is sourced from PubChem (CID 153300896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).