CID 70180959

C30H35O6Si — CID 70180959

IUPAC—
SMILESCOC(=O)COc1ccc(O[Si](c2ccccc2)c2ccccc2)c(C(C)(C)C)c1C(=O)OC(C)(C)C
InChIInChI=1S/C30H35O6Si/c1-29(2,3)27-24(36-37(21-14-10-8-11-15-21)22-16-12-9-13-17-22)19-18-23(34-20-25(31)33-7)26(27)28(32)35-30(4,5)6/h8-19H,20H2,1-7H3
InChIKeyNOLGCFYAYJNHMU-UHFFFAOYSA-N
MW519.69 g/mol
LogP4.68
Rot. Bonds8

About CID 70180959

CID 70180959 (PubChem CID 70180959) has the molecular formula C30H35O6Si and a molecular weight of 519.69 g/mol.

Molecular Properties

Compound NameCID 70180959
PubChem CID70180959
Molecular FormulaC30H35O6Si
Molecular Weight519.69 g/mol
Exact Mass519.22
IUPAC Name—
SMILESCOC(=O)COc1ccc(O[Si](c2ccccc2)c2ccccc2)c(C(C)(C)C)c1C(=O)OC(C)(C)C
InChIInChI=1S/C30H35O6Si/c1-29(2,3)27-24(36-37(21-14-10-8-11-15-21)22-16-12-9-13-17-22)19-18-23(34-20-25(31)33-7)26(27)28(32)35-30(4,5)6/h8-19H,20H2,1-7H3
InChIKeyNOLGCFYAYJNHMU-UHFFFAOYSA-N
XLogP4.68
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.69
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 70180959?
The IUPAC name of CID 70180959 (CID 70180959) is not available.
What is the SMILES notation for CID 70180959?
The canonical SMILES for CID 70180959 is COC(=O)COc1ccc(O[Si](c2ccccc2)c2ccccc2)c(C(C)(C)C)c1C(=O)OC(C)(C)C.
What is the InChIKey of CID 70180959?
The InChIKey is NOLGCFYAYJNHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35O6Si/c1-29(2,3)27-24(36-37(21-14-10-8-11-15-21)22-16-12-9-13-17-22)19-18-23(34-20-25(31)33-7)26(27)28(32)35-30(4,5)6/h8-19H,20H2,1-7H3.
What are the key properties of CID 70180959?
CID 70180959 has a molecular weight of 519.69 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70180959 is sourced from PubChem (CID 70180959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).