CID 67788725

C23H29ClNO6Si — CID 67788725

IUPAC—
SMILESC[Si](C)O[C@](C)([C@H]1C(=O)N(C(=O)C(=O)O)[C@@H]1[C@@H]1CCc2ccc(Cl)cc2C1=O)C(C)(C)C
InChIInChI=1S/C23H29ClNO6Si/c1-22(2,3)23(4,31-32(5)6)16-17(25(19(16)27)20(28)21(29)30)14-10-8-12-7-9-13(24)11-15(12)18(14)26/h7,9,11,14,16-17H,8,10H2,1-6H3,(H,29,30)/t14-,16+,17+,23+/m0/s1
InChIKeySQLOCCBQIMZDEW-BVGZXTNQSA-N
MW479.03 g/mol
LogP3.60
Rot. Bonds4

About CID 67788725

CID 67788725 (PubChem CID 67788725) has the molecular formula C23H29ClNO6Si and a molecular weight of 479.03 g/mol.

Molecular Properties

Compound NameCID 67788725
PubChem CID67788725
Molecular FormulaC23H29ClNO6Si
Molecular Weight479.03 g/mol
Exact Mass478.15
IUPAC Name—
SMILESC[Si](C)O[C@](C)([C@H]1C(=O)N(C(=O)C(=O)O)[C@@H]1[C@@H]1CCc2ccc(Cl)cc2C1=O)C(C)(C)C
InChIInChI=1S/C23H29ClNO6Si/c1-22(2,3)23(4,31-32(5)6)16-17(25(19(16)27)20(28)21(29)30)14-10-8-12-7-9-13(24)11-15(12)18(14)26/h7,9,11,14,16-17H,8,10H2,1-6H3,(H,29,30)/t14-,16+,17+,23+/m0/s1
InChIKeySQLOCCBQIMZDEW-BVGZXTNQSA-N
XLogP3.60
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.03
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67788725?
The IUPAC name of CID 67788725 (CID 67788725) is not available.
What is the SMILES notation for CID 67788725?
The canonical SMILES for CID 67788725 is C[Si](C)O[C@](C)([C@H]1C(=O)N(C(=O)C(=O)O)[C@@H]1[C@@H]1CCc2ccc(Cl)cc2C1=O)C(C)(C)C.
What is the InChIKey of CID 67788725?
The InChIKey is SQLOCCBQIMZDEW-BVGZXTNQSA-N. The full InChI is InChI=1S/C23H29ClNO6Si/c1-22(2,3)23(4,31-32(5)6)16-17(25(19(16)27)20(28)21(29)30)14-10-8-12-7-9-13(24)11-15(12)18(14)26/h7,9,11,14,16-17H,8,10H2,1-6H3,(H,29,30)/t14-,16+,17+,23+/m0/s1.
What are the key properties of CID 67788725?
CID 67788725 has a molecular weight of 479.03 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67788725 is sourced from PubChem (CID 67788725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).