CID 67788517

C23H34NO5Si — CID 67788517

IUPAC—
SMILESCOc1ccc2c(c1OC)CC[C@H]([C@H]1NC(=O)[C@@H]1[C@@](C)(O[Si](C)C)C(C)(C)C)C2=O
InChIInChI=1S/C23H34NO5Si/c1-22(2,3)23(4,29-30(7)8)17-18(24-21(17)26)15-10-9-14-13(19(15)25)11-12-16(27-5)20(14)28-6/h11-12,15,17-18H,9-10H2,1-8H3,(H,24,26)/t15-,17-,18-,23-/m1/s1
InChIKeyOEINKFZBXYLZGM-CXIOKZBNSA-N
MW432.61 g/mol
LogP3.64
Rot. Bonds6

About CID 67788517

CID 67788517 (PubChem CID 67788517) has the molecular formula C23H34NO5Si and a molecular weight of 432.61 g/mol.

Molecular Properties

Compound NameCID 67788517
PubChem CID67788517
Molecular FormulaC23H34NO5Si
Molecular Weight432.61 g/mol
Exact Mass432.22
IUPAC Name—
SMILESCOc1ccc2c(c1OC)CC[C@H]([C@H]1NC(=O)[C@@H]1[C@@](C)(O[Si](C)C)C(C)(C)C)C2=O
InChIInChI=1S/C23H34NO5Si/c1-22(2,3)23(4,29-30(7)8)17-18(24-21(17)26)15-10-9-14-13(19(15)25)11-12-16(27-5)20(14)28-6/h11-12,15,17-18H,9-10H2,1-8H3,(H,24,26)/t15-,17-,18-,23-/m1/s1
InChIKeyOEINKFZBXYLZGM-CXIOKZBNSA-N
XLogP3.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 67788517?
The IUPAC name of CID 67788517 (CID 67788517) is not available.
What is the SMILES notation for CID 67788517?
The canonical SMILES for CID 67788517 is COc1ccc2c(c1OC)CC[C@H]([C@H]1NC(=O)[C@@H]1[C@@](C)(O[Si](C)C)C(C)(C)C)C2=O.
What is the InChIKey of CID 67788517?
The InChIKey is OEINKFZBXYLZGM-CXIOKZBNSA-N. The full InChI is InChI=1S/C23H34NO5Si/c1-22(2,3)23(4,29-30(7)8)17-18(24-21(17)26)15-10-9-14-13(19(15)25)11-12-16(27-5)20(14)28-6/h11-12,15,17-18H,9-10H2,1-8H3,(H,24,26)/t15-,17-,18-,23-/m1/s1.
What are the key properties of CID 67788517?
CID 67788517 has a molecular weight of 432.61 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67788517 is sourced from PubChem (CID 67788517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).