CID 101419412

C33H44O6Si — CID 101419412

IUPAC—
SMILESC[C@@H]1C[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]2O[C@@]12CC[C@]1(CC=C[C@@H](CO)O1)O2
InChIInChI=1S/C33H44O6Si/c1-24-20-29-30(38-33(24)19-18-32(39-33)17-11-12-25(22-34)37-32)21-26(36-29)23-35-40(31(2,3)4,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-16,24-26,29-30,34H,17-23H2,1-4H3/t24-,25+,26+,29-,30-,32+,33-/m1/s1
InChIKeyDLSDEDZTTYMMNP-LPHPARFXSA-N
MW564.80 g/mol
LogP4.69
Rot. Bonds6

About CID 101419412

CID 101419412 (PubChem CID 101419412) has the molecular formula C33H44O6Si and a molecular weight of 564.80 g/mol.

Molecular Properties

Compound NameCID 101419412
PubChem CID101419412
Molecular FormulaC33H44O6Si
Molecular Weight564.80 g/mol
Exact Mass564.29
IUPAC Name—
SMILESC[C@@H]1C[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]2O[C@@]12CC[C@]1(CC=C[C@@H](CO)O1)O2
InChIInChI=1S/C33H44O6Si/c1-24-20-29-30(38-33(24)19-18-32(39-33)17-11-12-25(22-34)37-32)21-26(36-29)23-35-40(31(2,3)4,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-16,24-26,29-30,34H,17-23H2,1-4H3/t24-,25+,26+,29-,30-,32+,33-/m1/s1
InChIKeyDLSDEDZTTYMMNP-LPHPARFXSA-N
XLogP4.69
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.80
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 101419412 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 101419412?
The IUPAC name of CID 101419412 (CID 101419412) is not available.
What is the SMILES notation for CID 101419412?
The canonical SMILES for CID 101419412 is C[C@@H]1C[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]2O[C@@]12CC[C@]1(CC=C[C@@H](CO)O1)O2.
What is the InChIKey of CID 101419412?
The InChIKey is DLSDEDZTTYMMNP-LPHPARFXSA-N. The full InChI is InChI=1S/C33H44O6Si/c1-24-20-29-30(38-33(24)19-18-32(39-33)17-11-12-25(22-34)37-32)21-26(36-29)23-35-40(31(2,3)4,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-16,24-26,29-30,34H,17-23H2,1-4H3/t24-,25+,26+,29-,30-,32+,33-/m1/s1.
What are the key properties of CID 101419412?
CID 101419412 has a molecular weight of 564.80 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101419412 is sourced from PubChem (CID 101419412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).