CID 155629464

C26H62Cl4N2SSi6 — CID 155629464

IUPAC—
SMILESCC(CCCN([Si](C)(C)C)[Si](C)(C)C)(CCSCCC(C)(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](Cl)Cl)[Si](Cl)Cl
InChIInChI=1S/C26H62Cl4N2SSi6/c1-25(34(27)28,17-15-21-31(36(3,4)5)37(6,7)8)19-23-33-24-20-26(2,35(29)30)18-16-22-32(38(9,10)11)39(12,13)14/h15-24H2,1-14H3
InChIKeyJIKQQCUYJWOVRW-UHFFFAOYSA-N
MW745.19 g/mol
LogP11.46
Rot. Bonds20

About CID 155629464

CID 155629464 (PubChem CID 155629464) has the molecular formula C26H62Cl4N2SSi6 and a molecular weight of 745.19 g/mol.

Molecular Properties

Compound NameCID 155629464
PubChem CID155629464
Molecular FormulaC26H62Cl4N2SSi6
Molecular Weight745.19 g/mol
Exact Mass742.20
IUPAC Name—
SMILESCC(CCCN([Si](C)(C)C)[Si](C)(C)C)(CCSCCC(C)(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](Cl)Cl)[Si](Cl)Cl
InChIInChI=1S/C26H62Cl4N2SSi6/c1-25(34(27)28,17-15-21-31(36(3,4)5)37(6,7)8)19-23-33-24-20-26(2,35(29)30)18-16-22-32(38(9,10)11)39(12,13)14/h15-24H2,1-14H3
InChIKeyJIKQQCUYJWOVRW-UHFFFAOYSA-N
XLogP11.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.19
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155629464?
The IUPAC name of CID 155629464 (CID 155629464) is not available.
What is the SMILES notation for CID 155629464?
The canonical SMILES for CID 155629464 is CC(CCCN([Si](C)(C)C)[Si](C)(C)C)(CCSCCC(C)(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](Cl)Cl)[Si](Cl)Cl.
What is the InChIKey of CID 155629464?
The InChIKey is JIKQQCUYJWOVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H62Cl4N2SSi6/c1-25(34(27)28,17-15-21-31(36(3,4)5)37(6,7)8)19-23-33-24-20-26(2,35(29)30)18-16-22-32(38(9,10)11)39(12,13)14/h15-24H2,1-14H3.
What are the key properties of CID 155629464?
CID 155629464 has a molecular weight of 745.19 g/mol, XLogP of 11.46, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155629464 is sourced from PubChem (CID 155629464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).