CID 59938623

C16H45O4Si7 — CID 59938623

IUPAC
SMILESC[Si]C[Si](C)(C)O[Si](C)CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C16H45O4Si7/c1-21-16-25(9,10)17-22(2)14-15-27(13,19-24(6,7)8)20-26(11,12)18-23(3,4)5/h14-16H2,1-13H3
InChIKeyRFPRFTAUMXPRGJ-UHFFFAOYSA-N
MW498.13 g/mol
LogP6.03
Rot. Bonds13

About CID 59938623

CID 59938623 (PubChem CID 59938623) has the molecular formula C16H45O4Si7 and a molecular weight of 498.13 g/mol.

Molecular Properties

Compound NameCID 59938623
PubChem CID59938623
Molecular FormulaC16H45O4Si7
Molecular Weight498.13 g/mol
Exact Mass497.17
IUPAC Name
SMILESC[Si]C[Si](C)(C)O[Si](C)CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C16H45O4Si7/c1-21-16-25(9,10)17-22(2)14-15-27(13,19-24(6,7)8)20-26(11,12)18-23(3,4)5/h14-16H2,1-13H3
InChIKeyRFPRFTAUMXPRGJ-UHFFFAOYSA-N
XLogP6.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.13
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 59938623?
The IUPAC name of CID 59938623 (CID 59938623) is not available.
What is the SMILES notation for CID 59938623?
The canonical SMILES for CID 59938623 is C[Si]C[Si](C)(C)O[Si](C)CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of CID 59938623?
The InChIKey is RFPRFTAUMXPRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H45O4Si7/c1-21-16-25(9,10)17-22(2)14-15-27(13,19-24(6,7)8)20-26(11,12)18-23(3,4)5/h14-16H2,1-13H3.
What are the key properties of CID 59938623?
CID 59938623 has a molecular weight of 498.13 g/mol, XLogP of 6.03, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59938623 is sourced from PubChem (CID 59938623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).