CID 87098693

C10H22O2SSi — CID 87098693

IUPAC—
SMILESCC(C)OC(OC(C)C)[Si]CCCS
InChIInChI=1S/C10H22O2SSi/c1-8(2)11-10(12-9(3)4)14-7-5-6-13/h8-10,13H,5-7H2,1-4H3
InChIKeyMUUAAFVTVFYKPU-UHFFFAOYSA-N
MW234.44 g/mol
LogP2.56
Rot. Bonds8

About CID 87098693

CID 87098693 (PubChem CID 87098693) has the molecular formula C10H22O2SSi and a molecular weight of 234.44 g/mol.

Molecular Properties

Compound NameCID 87098693
PubChem CID87098693
Molecular FormulaC10H22O2SSi
Molecular Weight234.44 g/mol
Exact Mass234.11
IUPAC Name—
SMILESCC(C)OC(OC(C)C)[Si]CCCS
InChIInChI=1S/C10H22O2SSi/c1-8(2)11-10(12-9(3)4)14-7-5-6-13/h8-10,13H,5-7H2,1-4H3
InChIKeyMUUAAFVTVFYKPU-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 52.56
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87098693?
The IUPAC name of CID 87098693 (CID 87098693) is not available.
What is the SMILES notation for CID 87098693?
The canonical SMILES for CID 87098693 is CC(C)OC(OC(C)C)[Si]CCCS.
What is the InChIKey of CID 87098693?
The InChIKey is MUUAAFVTVFYKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2SSi/c1-8(2)11-10(12-9(3)4)14-7-5-6-13/h8-10,13H,5-7H2,1-4H3.
What are the key properties of CID 87098693?
CID 87098693 has a molecular weight of 234.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87098693 is sourced from PubChem (CID 87098693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).