CID 87485930

C10H23O3SSi — CID 87485930

IUPAC—
SMILESCCCO[Si](OCCC)OCCCCS
InChIInChI=1S/C10H23O3SSi/c1-3-7-11-15(12-8-4-2)13-9-5-6-10-14/h14H,3-10H2,1-2H3
InChIKeyGFLQCPUMSVEINM-UHFFFAOYSA-N
MW251.44 g/mol
LogP2.55
Rot. Bonds11

About CID 87485930

CID 87485930 (PubChem CID 87485930) has the molecular formula C10H23O3SSi and a molecular weight of 251.44 g/mol.

Molecular Properties

Compound NameCID 87485930
PubChem CID87485930
Molecular FormulaC10H23O3SSi
Molecular Weight251.44 g/mol
Exact Mass251.11
IUPAC Name—
SMILESCCCO[Si](OCCC)OCCCCS
InChIInChI=1S/C10H23O3SSi/c1-3-7-11-15(12-8-4-2)13-9-5-6-10-14/h14H,3-10H2,1-2H3
InChIKeyGFLQCPUMSVEINM-UHFFFAOYSA-N
XLogP2.55
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 52.55
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': 'thiol_2', 'substructure': 'N/A'}

Analyze CID 87485930 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 87822452
CID 87822452
CID 14875972
CID 14875972
10-propoxydecyl 5-sulfanylpentanoate
CID 54025623
CID 23504485
CID 23504485
dodecane-1-thiol
CID 8195
decane-1-thiol
CID 8917
bis(pentane-1-thiol);zinc
CID 87496779
octadecane-1-thiol;octane-1-thiol
CID 158706451
decane-1-thiol;undecane-1-thiol
CID 174806736
2-octadecoxyethanethiol
CID 54282852
hexadecyl 11-sulfanylundecanoate
CID 155738867
8-sulfanyloctyl octanoate
CID 18962131

Frequently Asked Questions

What is the IUPAC name of CID 87485930?
The IUPAC name of CID 87485930 (CID 87485930) is not available.
What is the SMILES notation for CID 87485930?
The canonical SMILES for CID 87485930 is CCCO[Si](OCCC)OCCCCS.
What is the InChIKey of CID 87485930?
The InChIKey is GFLQCPUMSVEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3SSi/c1-3-7-11-15(12-8-4-2)13-9-5-6-10-14/h14H,3-10H2,1-2H3.
What are the key properties of CID 87485930?
CID 87485930 has a molecular weight of 251.44 g/mol, XLogP of 2.55, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87485930 is sourced from PubChem (CID 87485930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).