CID 67796693

C27H42NO6Si — CID 67796693

IUPAC—
SMILESC[C@@H](C(=O)OCc1ccccc1)[C@@H]1[C@H]([C@@H](CO[Si](C)C)C(C)(C)C)C(=O)N1CC(=O)OC(C)(C)C
InChIInChI=1S/C27H42NO6Si/c1-18(25(31)32-16-19-13-11-10-12-14-19)23-22(20(26(2,3)4)17-33-35(8)9)24(30)28(23)15-21(29)34-27(5,6)7/h10-14,18,20,22-23H,15-17H2,1-9H3/t18-,20-,22+,23-/m1/s1
InChIKeyPIVZKNPIXWCGMO-WENLIBGGSA-N
MW504.72 g/mol
LogP4.46
Rot. Bonds10

About CID 67796693

CID 67796693 (PubChem CID 67796693) has the molecular formula C27H42NO6Si and a molecular weight of 504.72 g/mol.

Molecular Properties

Compound NameCID 67796693
PubChem CID67796693
Molecular FormulaC27H42NO6Si
Molecular Weight504.72 g/mol
Exact Mass504.28
IUPAC Name—
SMILESC[C@@H](C(=O)OCc1ccccc1)[C@@H]1[C@H]([C@@H](CO[Si](C)C)C(C)(C)C)C(=O)N1CC(=O)OC(C)(C)C
InChIInChI=1S/C27H42NO6Si/c1-18(25(31)32-16-19-13-11-10-12-14-19)23-22(20(26(2,3)4)17-33-35(8)9)24(30)28(23)15-21(29)34-27(5,6)7/h10-14,18,20,22-23H,15-17H2,1-9H3/t18-,20-,22+,23-/m1/s1
InChIKeyPIVZKNPIXWCGMO-WENLIBGGSA-N
XLogP4.46
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.72
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 67796693?
The IUPAC name of CID 67796693 (CID 67796693) is not available.
What is the SMILES notation for CID 67796693?
The canonical SMILES for CID 67796693 is C[C@@H](C(=O)OCc1ccccc1)[C@@H]1[C@H]([C@@H](CO[Si](C)C)C(C)(C)C)C(=O)N1CC(=O)OC(C)(C)C.
What is the InChIKey of CID 67796693?
The InChIKey is PIVZKNPIXWCGMO-WENLIBGGSA-N. The full InChI is InChI=1S/C27H42NO6Si/c1-18(25(31)32-16-19-13-11-10-12-14-19)23-22(20(26(2,3)4)17-33-35(8)9)24(30)28(23)15-21(29)34-27(5,6)7/h10-14,18,20,22-23H,15-17H2,1-9H3/t18-,20-,22+,23-/m1/s1.
What are the key properties of CID 67796693?
CID 67796693 has a molecular weight of 504.72 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67796693 is sourced from PubChem (CID 67796693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).