CID 67788731

C23H29ClNO6Si — CID 67788731

IUPAC—
SMILESC[Si](C)OC[C@H]([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/c1-23(2,3)16(11-31-32(4)5)17-18(25(20(17)27)21(28)22(29)30)14-9-7-12-6-8-13(24)10-15(12)19(14)26/h6,8,10,14,16-18H,7,9,11H2,1-5H3,(H,29,30)/t14-,16+,17-,18+/m0/s1
InChIKeyMRKWWJWQJQRXMS-XOYOTBSWSA-N
MW479.03 g/mol
LogP3.45
Rot. Bonds5

About CID 67788731

CID 67788731 (PubChem CID 67788731) has the molecular formula C23H29ClNO6Si and a molecular weight of 479.03 g/mol.

Molecular Properties

Compound NameCID 67788731
PubChem CID67788731
Molecular FormulaC23H29ClNO6Si
Molecular Weight479.03 g/mol
Exact Mass478.15
IUPAC Name—
SMILESC[Si](C)OC[C@H]([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/c1-23(2,3)16(11-31-32(4)5)17-18(25(20(17)27)21(28)22(29)30)14-9-7-12-6-8-13(24)10-15(12)19(14)26/h6,8,10,14,16-18H,7,9,11H2,1-5H3,(H,29,30)/t14-,16+,17-,18+/m0/s1
InChIKeyMRKWWJWQJQRXMS-XOYOTBSWSA-N
XLogP3.45
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.03
LogP ≤ 53.45
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 67788731?
The IUPAC name of CID 67788731 (CID 67788731) is not available.
What is the SMILES notation for CID 67788731?
The canonical SMILES for CID 67788731 is C[Si](C)OC[C@H]([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 67788731?
The InChIKey is MRKWWJWQJQRXMS-XOYOTBSWSA-N. The full InChI is InChI=1S/C23H29ClNO6Si/c1-23(2,3)16(11-31-32(4)5)17-18(25(20(17)27)21(28)22(29)30)14-9-7-12-6-8-13(24)10-15(12)19(14)26/h6,8,10,14,16-18H,7,9,11H2,1-5H3,(H,29,30)/t14-,16+,17-,18+/m0/s1.
What are the key properties of CID 67788731?
CID 67788731 has a molecular weight of 479.03 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67788731 is sourced from PubChem (CID 67788731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).