CID 153445075

C9H20O2SSi — CID 153445075

IUPAC—
SMILESCCC(O)CCSCCC[Si]OC
InChIInChI=1S/C9H20O2SSi/c1-3-9(10)5-7-12-6-4-8-13-11-2/h9-10H,3-8H2,1-2H3
InChIKeySMDNIWASMSINFM-UHFFFAOYSA-N
MW220.41 g/mol
LogP1.95
Rot. Bonds9

About CID 153445075

CID 153445075 (PubChem CID 153445075) has the molecular formula C9H20O2SSi and a molecular weight of 220.41 g/mol.

Molecular Properties

Compound NameCID 153445075
PubChem CID153445075
Molecular FormulaC9H20O2SSi
Molecular Weight220.41 g/mol
Exact Mass220.10
IUPAC Name—
SMILESCCC(O)CCSCCC[Si]OC
InChIInChI=1S/C9H20O2SSi/c1-3-9(10)5-7-12-6-4-8-13-11-2/h9-10H,3-8H2,1-2H3
InChIKeySMDNIWASMSINFM-UHFFFAOYSA-N
XLogP1.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153445075?
The IUPAC name of CID 153445075 (CID 153445075) is not available.
What is the SMILES notation for CID 153445075?
The canonical SMILES for CID 153445075 is CCC(O)CCSCCC[Si]OC.
What is the InChIKey of CID 153445075?
The InChIKey is SMDNIWASMSINFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2SSi/c1-3-9(10)5-7-12-6-4-8-13-11-2/h9-10H,3-8H2,1-2H3.
What are the key properties of CID 153445075?
CID 153445075 has a molecular weight of 220.41 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153445075 is sourced from PubChem (CID 153445075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).