CID 70187762

C30H35O4Si — CID 70187762

IUPAC—
SMILESCCOC(=O)CC1(O)c2cccc(C(C)(C)C)c2CCC1O[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35O4Si/c1-5-33-28(31)21-30(32)26-18-12-17-25(29(2,3)4)24(26)19-20-27(30)34-35(22-13-8-6-9-14-22)23-15-10-7-11-16-23/h6-18,27,32H,5,19-21H2,1-4H3
InChIKeyTXMPUQXXVQSSJL-UHFFFAOYSA-N
MW487.69 g/mol
LogP4.26
Rot. Bonds7

About CID 70187762

CID 70187762 (PubChem CID 70187762) has the molecular formula C30H35O4Si and a molecular weight of 487.69 g/mol.

Molecular Properties

Compound NameCID 70187762
PubChem CID70187762
Molecular FormulaC30H35O4Si
Molecular Weight487.69 g/mol
Exact Mass487.23
IUPAC Name—
SMILESCCOC(=O)CC1(O)c2cccc(C(C)(C)C)c2CCC1O[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35O4Si/c1-5-33-28(31)21-30(32)26-18-12-17-25(29(2,3)4)24(26)19-20-27(30)34-35(22-13-8-6-9-14-22)23-15-10-7-11-16-23/h6-18,27,32H,5,19-21H2,1-4H3
InChIKeyTXMPUQXXVQSSJL-UHFFFAOYSA-N
XLogP4.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.69
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70187762?
The IUPAC name of CID 70187762 (CID 70187762) is not available.
What is the SMILES notation for CID 70187762?
The canonical SMILES for CID 70187762 is CCOC(=O)CC1(O)c2cccc(C(C)(C)C)c2CCC1O[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 70187762?
The InChIKey is TXMPUQXXVQSSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35O4Si/c1-5-33-28(31)21-30(32)26-18-12-17-25(29(2,3)4)24(26)19-20-27(30)34-35(22-13-8-6-9-14-22)23-15-10-7-11-16-23/h6-18,27,32H,5,19-21H2,1-4H3.
What are the key properties of CID 70187762?
CID 70187762 has a molecular weight of 487.69 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70187762 is sourced from PubChem (CID 70187762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).