CID 171486096

C16H33O2SSi — CID 171486096

IUPAC—
SMILESCCCCCCC(=O)SC(C)CC(CCC)O[Si](C)C
InChIInChI=1S/C16H33O2SSi/c1-6-8-9-10-12-16(17)19-14(3)13-15(11-7-2)18-20(4)5/h14-15H,6-13H2,1-5H3
InChIKeyRTKYUFSNYPJWFW-UHFFFAOYSA-N
MW317.59 g/mol
LogP5.43
Rot. Bonds12

About CID 171486096

CID 171486096 (PubChem CID 171486096) has the molecular formula C16H33O2SSi and a molecular weight of 317.59 g/mol.

Molecular Properties

Compound NameCID 171486096
PubChem CID171486096
Molecular FormulaC16H33O2SSi
Molecular Weight317.59 g/mol
Exact Mass317.20
IUPAC Name—
SMILESCCCCCCC(=O)SC(C)CC(CCC)O[Si](C)C
InChIInChI=1S/C16H33O2SSi/c1-6-8-9-10-12-16(17)19-14(3)13-15(11-7-2)18-20(4)5/h14-15H,6-13H2,1-5H3
InChIKeyRTKYUFSNYPJWFW-UHFFFAOYSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.59
LogP ≤ 55.43
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 171486096?
The IUPAC name of CID 171486096 (CID 171486096) is not available.
What is the SMILES notation for CID 171486096?
The canonical SMILES for CID 171486096 is CCCCCCC(=O)SC(C)CC(CCC)O[Si](C)C.
What is the InChIKey of CID 171486096?
The InChIKey is RTKYUFSNYPJWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33O2SSi/c1-6-8-9-10-12-16(17)19-14(3)13-15(11-7-2)18-20(4)5/h14-15H,6-13H2,1-5H3.
What are the key properties of CID 171486096?
CID 171486096 has a molecular weight of 317.59 g/mol, XLogP of 5.43, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171486096 is sourced from PubChem (CID 171486096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).