CID 11491159

C43H54O8SSi — CID 11491159

IUPAC—
SMILESCO[C@H]1C[C@@H]2O[C@@]3(O[C@]4(C=CC[C@@H](/C=C/CCCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O4)C[C@@H]3S(=O)(=O)c3ccccc3)[C@@H](C)C[C@@H]2O1
InChIInChI=1S/C43H54O8SSi/c1-32-29-37-38(30-40(46-5)48-37)50-43(32)39(52(44,45)34-21-11-6-12-22-34)31-42(51-43)27-18-20-33(49-42)19-10-9-17-28-47-53(41(2,3)4,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h6-8,10-16,18-19,21-27,32-33,37-40H,9,17,20,28-31H2,1-5H3/b19-10+/t32-,33+,37-,38-,39-,40+,42+,43+/m0/s1
InChIKeyNNULHNPTKGJOAE-DTZWTZGESA-N
MW759.05 g/mol
LogP7.09
Rot. Bonds11

About CID 11491159

CID 11491159 (PubChem CID 11491159) has the molecular formula C43H54O8SSi and a molecular weight of 759.05 g/mol.

Molecular Properties

Compound NameCID 11491159
PubChem CID11491159
Molecular FormulaC43H54O8SSi
Molecular Weight759.05 g/mol
Exact Mass758.33
IUPAC Name—
SMILESCO[C@H]1C[C@@H]2O[C@@]3(O[C@]4(C=CC[C@@H](/C=C/CCCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O4)C[C@@H]3S(=O)(=O)c3ccccc3)[C@@H](C)C[C@@H]2O1
InChIInChI=1S/C43H54O8SSi/c1-32-29-37-38(30-40(46-5)48-37)50-43(32)39(52(44,45)34-21-11-6-12-22-34)31-42(51-43)27-18-20-33(49-42)19-10-9-17-28-47-53(41(2,3)4,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h6-8,10-16,18-19,21-27,32-33,37-40H,9,17,20,28-31H2,1-5H3/b19-10+/t32-,33+,37-,38-,39-,40+,42+,43+/m0/s1
InChIKeyNNULHNPTKGJOAE-DTZWTZGESA-N
XLogP7.09
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.05
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11491159?
The IUPAC name of CID 11491159 (CID 11491159) is not available.
What is the SMILES notation for CID 11491159?
The canonical SMILES for CID 11491159 is CO[C@H]1C[C@@H]2O[C@@]3(O[C@]4(C=CC[C@@H](/C=C/CCCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O4)C[C@@H]3S(=O)(=O)c3ccccc3)[C@@H](C)C[C@@H]2O1.
What is the InChIKey of CID 11491159?
The InChIKey is NNULHNPTKGJOAE-DTZWTZGESA-N. The full InChI is InChI=1S/C43H54O8SSi/c1-32-29-37-38(30-40(46-5)48-37)50-43(32)39(52(44,45)34-21-11-6-12-22-34)31-42(51-43)27-18-20-33(49-42)19-10-9-17-28-47-53(41(2,3)4,35-23-13-7-14-24-35)36-25-15-8-16-26-36/h6-8,10-16,18-19,21-27,32-33,37-40H,9,17,20,28-31H2,1-5H3/b19-10+/t32-,33+,37-,38-,39-,40+,42+,43+/m0/s1.
What are the key properties of CID 11491159?
CID 11491159 has a molecular weight of 759.05 g/mol, XLogP of 7.09, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11491159 is sourced from PubChem (CID 11491159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).