CID 11541528

C34H46O6Si — CID 11541528

IUPAC—
SMILESCC1=C[C@@H](CO)O[C@@]2(CC[C@@]3(O[C@@H]4C[C@@H](CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O[C@@H]4C[C@H]3C)O2)C1
InChIInChI=1S/C34H46O6Si/c1-24-18-26(22-35)38-33(21-24)16-17-34(40-33)25(2)19-30-31(39-34)20-27(37-30)23-36-41(32(3,4)5,28-12-8-6-9-13-28)29-14-10-7-11-15-29/h6-15,18,25-27,30-31,35H,16-17,19-23H2,1-5H3/t25-,26+,27+,30-,31-,33-,34-/m1/s1
InChIKeyUNIQFFCINPLUOI-CXALPXGBSA-N
MW578.82 g/mol
LogP5.08
Rot. Bonds6

About CID 11541528

CID 11541528 (PubChem CID 11541528) has the molecular formula C34H46O6Si and a molecular weight of 578.82 g/mol.

Molecular Properties

Compound NameCID 11541528
PubChem CID11541528
Molecular FormulaC34H46O6Si
Molecular Weight578.82 g/mol
Exact Mass578.31
IUPAC Name—
SMILESCC1=C[C@@H](CO)O[C@@]2(CC[C@@]3(O[C@@H]4C[C@@H](CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O[C@@H]4C[C@H]3C)O2)C1
InChIInChI=1S/C34H46O6Si/c1-24-18-26(22-35)38-33(21-24)16-17-34(40-33)25(2)19-30-31(39-34)20-27(37-30)23-36-41(32(3,4)5,28-12-8-6-9-13-28)29-14-10-7-11-15-29/h6-15,18,25-27,30-31,35H,16-17,19-23H2,1-5H3/t25-,26+,27+,30-,31-,33-,34-/m1/s1
InChIKeyUNIQFFCINPLUOI-CXALPXGBSA-N
XLogP5.08
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.82
LogP ≤ 55.08
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 11541528?
The IUPAC name of CID 11541528 (CID 11541528) is not available.
What is the SMILES notation for CID 11541528?
The canonical SMILES for CID 11541528 is CC1=C[C@@H](CO)O[C@@]2(CC[C@@]3(O[C@@H]4C[C@@H](CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)O[C@@H]4C[C@H]3C)O2)C1.
What is the InChIKey of CID 11541528?
The InChIKey is UNIQFFCINPLUOI-CXALPXGBSA-N. The full InChI is InChI=1S/C34H46O6Si/c1-24-18-26(22-35)38-33(21-24)16-17-34(40-33)25(2)19-30-31(39-34)20-27(37-30)23-36-41(32(3,4)5,28-12-8-6-9-13-28)29-14-10-7-11-15-29/h6-15,18,25-27,30-31,35H,16-17,19-23H2,1-5H3/t25-,26+,27+,30-,31-,33-,34-/m1/s1.
What are the key properties of CID 11541528?
CID 11541528 has a molecular weight of 578.82 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11541528 is sourced from PubChem (CID 11541528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).