CID 87098746

C10H22O3SSi — CID 87098746

IUPAC—
SMILESCCCOC(OCCC)O[Si]CCCS
InChIInChI=1S/C10H22O3SSi/c1-3-6-11-10(12-7-4-2)13-15-9-5-8-14/h10,14H,3-9H2,1-2H3
InChIKeyBVAQMAYGAAZDSA-UHFFFAOYSA-N
MW250.44 g/mol
LogP2.50
Rot. Bonds11

About CID 87098746

CID 87098746 (PubChem CID 87098746) has the molecular formula C10H22O3SSi and a molecular weight of 250.44 g/mol.

Molecular Properties

Compound NameCID 87098746
PubChem CID87098746
Molecular FormulaC10H22O3SSi
Molecular Weight250.44 g/mol
Exact Mass250.11
IUPAC Name—
SMILESCCCOC(OCCC)O[Si]CCCS
InChIInChI=1S/C10H22O3SSi/c1-3-6-11-10(12-7-4-2)13-15-9-5-8-14/h10,14H,3-9H2,1-2H3
InChIKeyBVAQMAYGAAZDSA-UHFFFAOYSA-N
XLogP2.50
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 87098746?
The IUPAC name of CID 87098746 (CID 87098746) is not available.
What is the SMILES notation for CID 87098746?
The canonical SMILES for CID 87098746 is CCCOC(OCCC)O[Si]CCCS.
What is the InChIKey of CID 87098746?
The InChIKey is BVAQMAYGAAZDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3SSi/c1-3-6-11-10(12-7-4-2)13-15-9-5-8-14/h10,14H,3-9H2,1-2H3.
What are the key properties of CID 87098746?
CID 87098746 has a molecular weight of 250.44 g/mol, XLogP of 2.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87098746 is sourced from PubChem (CID 87098746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).