CID 140767880

C28H104FO23Si24 — CID 140767880

About CID 140767880

CID 140767880 (PubChem CID 140767880) has the molecular formula C28H104FO23Si24 and a molecular weight of 1502.18 g/mol.

Molecular Properties

• Compound Name: CID 140767880
• PubChem CID: 140767880
• Molecular Formula: C28H104FO23Si24
• Molecular Weight: 1502.18 g/mol
• Exact Mass: 1499.14
• IUPAC Name: —
• SMILES: C[Si](O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[Si](C)(C)C)O[Si](C)(F)O[Si](C)(C)C
• InChI: InChI=1S/C28H104FO23Si24/c1-53(30-54(2)32-56(4)34-58(6)36-60(8)38-62(10)40-64(12)42-66(14)44-68(16)46-70(18)48-72(20)50-74(22,23)24)31-55(3)33-57(5)35-59(7)37-61(9)39-63(11)41-65(13)43-67(15)45-69(17)47-71(19)49-73(21)51-76(28,29)52-75(25,26)27/h53-72H,1-28H3
• InChIKey: IWJNKRICKBVMJS-UHFFFAOYSA-N
• XLogP: 0.70
• TPSA: 212.29 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 46
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1502.18
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 140767880?

The IUPAC name of CID 140767880 (CID 140767880) is not available.

What is the SMILES notation for CID 140767880?

The canonical SMILES for CID 140767880 is C[Si](O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O[Si](C)(C)C)O[Si](C)(F)O[Si](C)(C)C.

What is the InChIKey of CID 140767880?

The InChIKey is IWJNKRICKBVMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H104FO23Si24/c1-53(30-54(2)32-56(4)34-58(6)36-60(8)38-62(10)40-64(12)42-66(14)44-68(16)46-70(18)48-72(20)50-74(22,23)24)31-55(3)33-57(5)35-59(7)37-61(9)39-63(11)41-65(13)43-67(15)45-69(17)47-71(19)49-73(21)51-76(28,29)52-75(25,26)27/h53-72H,1-28H3.

What are the key properties of CID 140767880?

CID 140767880 has a molecular weight of 1502.18 g/mol, XLogP of 0.70, 46 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for CID 140767880 is sourced from PubChem (CID 140767880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).