CID 11468364

C41H66O11Si — CID 11468364

IUPAC—
SMILESC=C(COC(C)=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)C(=O)[C@H](O)[C@@H]1C[C@H]2O[C@@]3(CC[C@]4(CC=C[C@@H](/C=C/CCCOC(C)=O)O4)O3)[C@H](C)C[C@H]2O1
InChIInChI=1S/C41H66O11Si/c1-26(22-27(2)38(28(3)25-47-31(6)43)51-53(10,11)39(7,8)9)36(44)37(45)35-24-34-33(48-35)23-29(4)41(50-34)20-19-40(52-41)18-15-17-32(49-40)16-13-12-14-21-46-30(5)42/h13,15-17,26-27,29,32-35,37-38,45H,3,12,14,18-25H2,1-2,4-11H3/b16-13+/t26-,27+,29-,32-,33-,34-,35+,37-,38+,40+,41-/m1/s1
InChIKeyMXYGUUZXXHXONV-LRZXUSOASA-N
MW763.05 g/mol
LogP7.12
Rot. Bonds16

About CID 11468364

CID 11468364 (PubChem CID 11468364) has the molecular formula C41H66O11Si and a molecular weight of 763.05 g/mol.

Molecular Properties

Compound NameCID 11468364
PubChem CID11468364
Molecular FormulaC41H66O11Si
Molecular Weight763.05 g/mol
Exact Mass762.44
IUPAC Name—
SMILESC=C(COC(C)=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)C(=O)[C@H](O)[C@@H]1C[C@H]2O[C@@]3(CC[C@]4(CC=C[C@@H](/C=C/CCCOC(C)=O)O4)O3)[C@H](C)C[C@H]2O1
InChIInChI=1S/C41H66O11Si/c1-26(22-27(2)38(28(3)25-47-31(6)43)51-53(10,11)39(7,8)9)36(44)37(45)35-24-34-33(48-35)23-29(4)41(50-34)20-19-40(52-41)18-15-17-32(49-40)16-13-12-14-21-46-30(5)42/h13,15-17,26-27,29,32-35,37-38,45H,3,12,14,18-25H2,1-2,4-11H3/b16-13+/t26-,27+,29-,32-,33-,34-,35+,37-,38+,40+,41-/m1/s1
InChIKeyMXYGUUZXXHXONV-LRZXUSOASA-N
XLogP7.12
TPSA136.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500763.05
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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'}

Analyze CID 11468364 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 11468364?
The IUPAC name of CID 11468364 (CID 11468364) is not available.
What is the SMILES notation for CID 11468364?
The canonical SMILES for CID 11468364 is C=C(COC(C)=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)C(=O)[C@H](O)[C@@H]1C[C@H]2O[C@@]3(CC[C@]4(CC=C[C@@H](/C=C/CCCOC(C)=O)O4)O3)[C@H](C)C[C@H]2O1.
What is the InChIKey of CID 11468364?
The InChIKey is MXYGUUZXXHXONV-LRZXUSOASA-N. The full InChI is InChI=1S/C41H66O11Si/c1-26(22-27(2)38(28(3)25-47-31(6)43)51-53(10,11)39(7,8)9)36(44)37(45)35-24-34-33(48-35)23-29(4)41(50-34)20-19-40(52-41)18-15-17-32(49-40)16-13-12-14-21-46-30(5)42/h13,15-17,26-27,29,32-35,37-38,45H,3,12,14,18-25H2,1-2,4-11H3/b16-13+/t26-,27+,29-,32-,33-,34-,35+,37-,38+,40+,41-/m1/s1.
What are the key properties of CID 11468364?
CID 11468364 has a molecular weight of 763.05 g/mol, XLogP of 7.12, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11468364 is sourced from PubChem (CID 11468364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).