CID 171486097

C19H39O2SSi — CID 171486097

IUPAC—
SMILESCCCCCCCC(=O)SC(C)CC(CCC)O[Si](CC)CC
InChIInChI=1S/C19H39O2SSi/c1-6-10-11-12-13-15-19(20)22-17(5)16-18(14-7-2)21-23(8-3)9-4/h17-18H,6-16H2,1-5H3
InChIKeyLVSUVQZFRIXYKE-UHFFFAOYSA-N
MW359.67 g/mol
LogP6.60
Rot. Bonds15

About CID 171486097

CID 171486097 (PubChem CID 171486097) has the molecular formula C19H39O2SSi and a molecular weight of 359.67 g/mol.

Molecular Properties

Compound NameCID 171486097
PubChem CID171486097
Molecular FormulaC19H39O2SSi
Molecular Weight359.67 g/mol
Exact Mass359.24
IUPAC Name—
SMILESCCCCCCCC(=O)SC(C)CC(CCC)O[Si](CC)CC
InChIInChI=1S/C19H39O2SSi/c1-6-10-11-12-13-15-19(20)22-17(5)16-18(14-7-2)21-23(8-3)9-4/h17-18H,6-16H2,1-5H3
InChIKeyLVSUVQZFRIXYKE-UHFFFAOYSA-N
XLogP6.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
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 171486097?
The IUPAC name of CID 171486097 (CID 171486097) is not available.
What is the SMILES notation for CID 171486097?
The canonical SMILES for CID 171486097 is CCCCCCCC(=O)SC(C)CC(CCC)O[Si](CC)CC.
What is the InChIKey of CID 171486097?
The InChIKey is LVSUVQZFRIXYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39O2SSi/c1-6-10-11-12-13-15-19(20)22-17(5)16-18(14-7-2)21-23(8-3)9-4/h17-18H,6-16H2,1-5H3.
What are the key properties of CID 171486097?
CID 171486097 has a molecular weight of 359.67 g/mol, XLogP of 6.60, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171486097 is sourced from PubChem (CID 171486097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).