CID 162460984

C37H44N2O3Si — CID 162460984

IUPAC—
SMILESCC(OC(C)(C)C)c1ccc2c(c1)C(=O)OC21c2ccc(N3CCC3)cc2[Si]2(CCCCC2)c2cc(N3CCC3)ccc21
InChIInChI=1S/C37H44N2O3Si/c1-25(41-36(2,3)4)26-10-13-30-29(22-26)35(40)42-37(30)31-14-11-27(38-16-8-17-38)23-33(31)43(20-6-5-7-21-43)34-24-28(12-15-32(34)37)39-18-9-19-39/h10-15,22-25H,5-9,16-21H2,1-4H3
InChIKeyGYLHCXVMJKWNHJ-UHFFFAOYSA-N
MW592.86 g/mol
LogP6.51
Rot. Bonds4

About CID 162460984

CID 162460984 (PubChem CID 162460984) has the molecular formula C37H44N2O3Si and a molecular weight of 592.86 g/mol.

Molecular Properties

Compound NameCID 162460984
PubChem CID162460984
Molecular FormulaC37H44N2O3Si
Molecular Weight592.86 g/mol
Exact Mass592.31
IUPAC Name—
SMILESCC(OC(C)(C)C)c1ccc2c(c1)C(=O)OC21c2ccc(N3CCC3)cc2[Si]2(CCCCC2)c2cc(N3CCC3)ccc21
InChIInChI=1S/C37H44N2O3Si/c1-25(41-36(2,3)4)26-10-13-30-29(22-26)35(40)42-37(30)31-14-11-27(38-16-8-17-38)23-33(31)43(20-6-5-7-21-43)34-24-28(12-15-32(34)37)39-18-9-19-39/h10-15,22-25H,5-9,16-21H2,1-4H3
InChIKeyGYLHCXVMJKWNHJ-UHFFFAOYSA-N
XLogP6.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.86
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162460984?
The IUPAC name of CID 162460984 (CID 162460984) is not available.
What is the SMILES notation for CID 162460984?
The canonical SMILES for CID 162460984 is CC(OC(C)(C)C)c1ccc2c(c1)C(=O)OC21c2ccc(N3CCC3)cc2[Si]2(CCCCC2)c2cc(N3CCC3)ccc21.
What is the InChIKey of CID 162460984?
The InChIKey is GYLHCXVMJKWNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N2O3Si/c1-25(41-36(2,3)4)26-10-13-30-29(22-26)35(40)42-37(30)31-14-11-27(38-16-8-17-38)23-33(31)43(20-6-5-7-21-43)34-24-28(12-15-32(34)37)39-18-9-19-39/h10-15,22-25H,5-9,16-21H2,1-4H3.
What are the key properties of CID 162460984?
CID 162460984 has a molecular weight of 592.86 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162460984 is sourced from PubChem (CID 162460984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).