CID 67789414

C21H30NO3Si — CID 67789414

IUPAC—
SMILESC[Si](C)OC[C@H]([C@@H]1C(=O)N[C@@H]1[C@H]1CCc2ccccc2C1=O)C(C)(C)C
InChIInChI=1S/C21H30NO3Si/c1-21(2,3)16(12-25-26(4)5)17-18(22-20(17)24)15-11-10-13-8-6-7-9-14(13)19(15)23/h6-9,15-18H,10-12H2,1-5H3,(H,22,24)/t15-,16-,17+,18-/m1/s1
InChIKeyQMNRBXQSWUZIRA-ZJPYXAASSA-N
MW372.56 g/mol
LogP3.48
Rot. Bonds5

About CID 67789414

CID 67789414 (PubChem CID 67789414) has the molecular formula C21H30NO3Si and a molecular weight of 372.56 g/mol.

Molecular Properties

Compound NameCID 67789414
PubChem CID67789414
Molecular FormulaC21H30NO3Si
Molecular Weight372.56 g/mol
Exact Mass372.20
IUPAC Name—
SMILESC[Si](C)OC[C@H]([C@@H]1C(=O)N[C@@H]1[C@H]1CCc2ccccc2C1=O)C(C)(C)C
InChIInChI=1S/C21H30NO3Si/c1-21(2,3)16(12-25-26(4)5)17-18(22-20(17)24)15-11-10-13-8-6-7-9-14(13)19(15)23/h6-9,15-18H,10-12H2,1-5H3,(H,22,24)/t15-,16-,17+,18-/m1/s1
InChIKeyQMNRBXQSWUZIRA-ZJPYXAASSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 67789414?
The IUPAC name of CID 67789414 (CID 67789414) is not available.
What is the SMILES notation for CID 67789414?
The canonical SMILES for CID 67789414 is C[Si](C)OC[C@H]([C@@H]1C(=O)N[C@@H]1[C@H]1CCc2ccccc2C1=O)C(C)(C)C.
What is the InChIKey of CID 67789414?
The InChIKey is QMNRBXQSWUZIRA-ZJPYXAASSA-N. The full InChI is InChI=1S/C21H30NO3Si/c1-21(2,3)16(12-25-26(4)5)17-18(22-20(17)24)15-11-10-13-8-6-7-9-14(13)19(15)23/h6-9,15-18H,10-12H2,1-5H3,(H,22,24)/t15-,16-,17+,18-/m1/s1.
What are the key properties of CID 67789414?
CID 67789414 has a molecular weight of 372.56 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67789414 is sourced from PubChem (CID 67789414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).