CID 140767880

C28H104FO23Si24 — CID 140767880

IUPAC—
SMILESC[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
InChIInChI=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
InChIKeyIWJNKRICKBVMJS-UHFFFAOYSA-N
MW1502.18 g/mol
LogP0.70
Rot. Bonds46

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 NameCID 140767880
PubChem CID140767880
Molecular FormulaC28H104FO23Si24
Molecular Weight1502.18 g/mol
Exact Mass1499.14
IUPAC Name—
SMILESC[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
InChIInChI=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
InChIKeyIWJNKRICKBVMJS-UHFFFAOYSA-N
XLogP0.70
TPSA212.29 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds46
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001502.18
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

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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).