CID 67788519

C23H34NO5Si — CID 67788519

IUPAC—
SMILESCOc1ccc2c(c1OC)CC[C@H]([C@H]1NC(=O)[C@H]1[C@@H](CO[Si](C)C)C(C)(C)C)C2=O
InChIInChI=1S/C23H34NO5Si/c1-23(2,3)16(12-29-30(6)7)18-19(24-22(18)26)15-9-8-14-13(20(15)25)10-11-17(27-4)21(14)28-5/h10-11,15-16,18-19H,8-9,12H2,1-7H3,(H,24,26)/t15-,16-,18+,19-/m1/s1
InChIKeyHBFLFZKVRMUIOG-ZAWLATJESA-N
MW432.61 g/mol
LogP3.49
Rot. Bonds7

About CID 67788519

CID 67788519 (PubChem CID 67788519) has the molecular formula C23H34NO5Si and a molecular weight of 432.61 g/mol.

Molecular Properties

Compound NameCID 67788519
PubChem CID67788519
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@@H](CO[Si](C)C)C(C)(C)C)C2=O
InChIInChI=1S/C23H34NO5Si/c1-23(2,3)16(12-29-30(6)7)18-19(24-22(18)26)15-9-8-14-13(20(15)25)10-11-17(27-4)21(14)28-5/h10-11,15-16,18-19H,8-9,12H2,1-7H3,(H,24,26)/t15-,16-,18+,19-/m1/s1
InChIKeyHBFLFZKVRMUIOG-ZAWLATJESA-N
XLogP3.49
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.49
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 67788519?
The IUPAC name of CID 67788519 (CID 67788519) is not available.
What is the SMILES notation for CID 67788519?
The canonical SMILES for CID 67788519 is COc1ccc2c(c1OC)CC[C@H]([C@H]1NC(=O)[C@H]1[C@@H](CO[Si](C)C)C(C)(C)C)C2=O.
What is the InChIKey of CID 67788519?
The InChIKey is HBFLFZKVRMUIOG-ZAWLATJESA-N. The full InChI is InChI=1S/C23H34NO5Si/c1-23(2,3)16(12-29-30(6)7)18-19(24-22(18)26)15-9-8-14-13(20(15)25)10-11-17(27-4)21(14)28-5/h10-11,15-16,18-19H,8-9,12H2,1-7H3,(H,24,26)/t15-,16-,18+,19-/m1/s1.
What are the key properties of CID 67788519?
CID 67788519 has a molecular weight of 432.61 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67788519 is sourced from PubChem (CID 67788519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).