CID 102328489

C30H39NO3Si — CID 102328489

IUPAC—
SMILESCN1c2ccccc2C2(OOC23C2CC4CC(C2)CC3C4)c2cccc(O[Si](C)(C)C(C)(C)C)c21
InChIInChI=1S/C30H39NO3Si/c1-28(2,3)35(5,6)32-26-13-9-11-24-27(26)31(4)25-12-8-7-10-23(25)30(24)29(33-34-30)21-15-19-14-20(17-21)18-22(29)16-19/h7-13,19-22H,14-18H2,1-6H3
InChIKeyWXFCFDXHMYQTRV-UHFFFAOYSA-N
MW489.73 g/mol
LogP7.55
Rot. Bonds2

About CID 102328489

CID 102328489 (PubChem CID 102328489) has the molecular formula C30H39NO3Si and a molecular weight of 489.73 g/mol.

Molecular Properties

Compound NameCID 102328489
PubChem CID102328489
Molecular FormulaC30H39NO3Si
Molecular Weight489.73 g/mol
Exact Mass489.27
IUPAC Name—
SMILESCN1c2ccccc2C2(OOC23C2CC4CC(C2)CC3C4)c2cccc(O[Si](C)(C)C(C)(C)C)c21
InChIInChI=1S/C30H39NO3Si/c1-28(2,3)35(5,6)32-26-13-9-11-24-27(26)31(4)25-12-8-7-10-23(25)30(24)29(33-34-30)21-15-19-14-20(17-21)18-22(29)16-19/h7-13,19-22H,14-18H2,1-6H3
InChIKeyWXFCFDXHMYQTRV-UHFFFAOYSA-N
XLogP7.55
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.73
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102328489?
The IUPAC name of CID 102328489 (CID 102328489) is not available.
What is the SMILES notation for CID 102328489?
The canonical SMILES for CID 102328489 is CN1c2ccccc2C2(OOC23C2CC4CC(C2)CC3C4)c2cccc(O[Si](C)(C)C(C)(C)C)c21.
What is the InChIKey of CID 102328489?
The InChIKey is WXFCFDXHMYQTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39NO3Si/c1-28(2,3)35(5,6)32-26-13-9-11-24-27(26)31(4)25-12-8-7-10-23(25)30(24)29(33-34-30)21-15-19-14-20(17-21)18-22(29)16-19/h7-13,19-22H,14-18H2,1-6H3.
What are the key properties of CID 102328489?
CID 102328489 has a molecular weight of 489.73 g/mol, XLogP of 7.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102328489 is sourced from PubChem (CID 102328489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).