CID 87098699

C11H24O3SSi — CID 87098699

IUPAC—
SMILESCCCOC(OCCC)O[Si]CCC(C)S
InChIInChI=1S/C11H24O3SSi/c1-4-7-12-11(13-8-5-2)14-16-9-6-10(3)15/h10-11,15H,4-9H2,1-3H3
InChIKeyXXMOHVLQZAHGJC-UHFFFAOYSA-N
MW264.46 g/mol
LogP2.89
Rot. Bonds11

About CID 87098699

CID 87098699 (PubChem CID 87098699) has the molecular formula C11H24O3SSi and a molecular weight of 264.46 g/mol.

Molecular Properties

Compound NameCID 87098699
PubChem CID87098699
Molecular FormulaC11H24O3SSi
Molecular Weight264.46 g/mol
Exact Mass264.12
IUPAC Name—
SMILESCCCOC(OCCC)O[Si]CCC(C)S
InChIInChI=1S/C11H24O3SSi/c1-4-7-12-11(13-8-5-2)14-16-9-6-10(3)15/h10-11,15H,4-9H2,1-3H3
InChIKeyXXMOHVLQZAHGJC-UHFFFAOYSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 52.89
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 87098699?
The IUPAC name of CID 87098699 (CID 87098699) is not available.
What is the SMILES notation for CID 87098699?
The canonical SMILES for CID 87098699 is CCCOC(OCCC)O[Si]CCC(C)S.
What is the InChIKey of CID 87098699?
The InChIKey is XXMOHVLQZAHGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3SSi/c1-4-7-12-11(13-8-5-2)14-16-9-6-10(3)15/h10-11,15H,4-9H2,1-3H3.
What are the key properties of CID 87098699?
CID 87098699 has a molecular weight of 264.46 g/mol, XLogP of 2.89, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87098699 is sourced from PubChem (CID 87098699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).