CID 171486081

C19H39O2SSi — CID 171486081

IUPAC—
SMILESCCCCCCCC(=O)SCCCC(C)O[Si](CCC)CCC
InChIInChI=1S/C19H39O2SSi/c1-5-8-9-10-11-14-19(20)22-15-12-13-18(4)21-23(16-6-2)17-7-3/h18H,5-17H2,1-4H3
InChIKeyZAOOUQLUJIZVJQ-UHFFFAOYSA-N
MW359.67 g/mol
LogP6.60
Rot. Bonds16

About CID 171486081

CID 171486081 (PubChem CID 171486081) has the molecular formula C19H39O2SSi and a molecular weight of 359.67 g/mol.

Molecular Properties

Compound NameCID 171486081
PubChem CID171486081
Molecular FormulaC19H39O2SSi
Molecular Weight359.67 g/mol
Exact Mass359.24
IUPAC Name—
SMILESCCCCCCCC(=O)SCCCC(C)O[Si](CCC)CCC
InChIInChI=1S/C19H39O2SSi/c1-5-8-9-10-11-14-19(20)22-15-12-13-18(4)21-23(16-6-2)17-7-3/h18H,5-17H2,1-4H3
InChIKeyZAOOUQLUJIZVJQ-UHFFFAOYSA-N
XLogP6.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.67
LogP ≤ 56.60
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': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 171486081?
The IUPAC name of CID 171486081 (CID 171486081) is not available.
What is the SMILES notation for CID 171486081?
The canonical SMILES for CID 171486081 is CCCCCCCC(=O)SCCCC(C)O[Si](CCC)CCC.
What is the InChIKey of CID 171486081?
The InChIKey is ZAOOUQLUJIZVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39O2SSi/c1-5-8-9-10-11-14-19(20)22-15-12-13-18(4)21-23(16-6-2)17-7-3/h18H,5-17H2,1-4H3.
What are the key properties of CID 171486081?
CID 171486081 has a molecular weight of 359.67 g/mol, XLogP of 6.60, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171486081 is sourced from PubChem (CID 171486081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).