CID 67256890

C27H32F3NO3Si — CID 67256890

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)c1ccc(C(F)(F)F)c(C2=CCN(C(=O)OCc3ccccc3)CC2)c1
InChIInChI=1S/C27H32F3NO3Si/c1-25(2,3)35-34-26(4,5)21-11-12-23(27(28,29)30)22(17-21)20-13-15-31(16-14-20)24(32)33-18-19-9-7-6-8-10-19/h6-13,17H,14-16,18H2,1-5H3
InChIKeyVAQXCPJNKQSLLB-UHFFFAOYSA-N
MW503.64 g/mol
LogP7.22
Rot. Bonds6

About CID 67256890

CID 67256890 (PubChem CID 67256890) has the molecular formula C27H32F3NO3Si and a molecular weight of 503.64 g/mol.

Molecular Properties

Compound NameCID 67256890
PubChem CID67256890
Molecular FormulaC27H32F3NO3Si
Molecular Weight503.64 g/mol
Exact Mass503.21
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)c1ccc(C(F)(F)F)c(C2=CCN(C(=O)OCc3ccccc3)CC2)c1
InChIInChI=1S/C27H32F3NO3Si/c1-25(2,3)35-34-26(4,5)21-11-12-23(27(28,29)30)22(17-21)20-13-15-31(16-14-20)24(32)33-18-19-9-7-6-8-10-19/h6-13,17H,14-16,18H2,1-5H3
InChIKeyVAQXCPJNKQSLLB-UHFFFAOYSA-N
XLogP7.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.64
LogP ≤ 57.22
H-Bond Donors ≤ 50
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 67256890?
The IUPAC name of CID 67256890 (CID 67256890) is not available.
What is the SMILES notation for CID 67256890?
The canonical SMILES for CID 67256890 is CC(C)(C)[Si]OC(C)(C)c1ccc(C(F)(F)F)c(C2=CCN(C(=O)OCc3ccccc3)CC2)c1.
What is the InChIKey of CID 67256890?
The InChIKey is VAQXCPJNKQSLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3NO3Si/c1-25(2,3)35-34-26(4,5)21-11-12-23(27(28,29)30)22(17-21)20-13-15-31(16-14-20)24(32)33-18-19-9-7-6-8-10-19/h6-13,17H,14-16,18H2,1-5H3.
What are the key properties of CID 67256890?
CID 67256890 has a molecular weight of 503.64 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67256890 is sourced from PubChem (CID 67256890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).