CID 155760558

C18H36O4S4Si2 — CID 155760558

IUPAC—
SMILESCCOCCCCOC([Si])CCSSSSCCC([Si])OCCCCOCC
InChIInChI=1S/C18H36O4S4Si2/c1-3-19-11-5-7-13-21-17(27)9-15-23-25-26-24-16-10-18(28)22-14-8-6-12-20-4-2/h17-18H,3-16H2,1-2H3
InChIKeyDPGIFHUBFINPGE-UHFFFAOYSA-N
MW500.92 g/mol
LogP5.10
Rot. Bonds23

About CID 155760558

CID 155760558 (PubChem CID 155760558) has the molecular formula C18H36O4S4Si2 and a molecular weight of 500.92 g/mol.

Molecular Properties

Compound NameCID 155760558
PubChem CID155760558
Molecular FormulaC18H36O4S4Si2
Molecular Weight500.92 g/mol
Exact Mass500.10
IUPAC Name—
SMILESCCOCCCCOC([Si])CCSSSSCCC([Si])OCCCCOCC
InChIInChI=1S/C18H36O4S4Si2/c1-3-19-11-5-7-13-21-17(27)9-15-23-25-26-24-16-10-18(28)22-14-8-6-12-20-4-2/h17-18H,3-16H2,1-2H3
InChIKeyDPGIFHUBFINPGE-UHFFFAOYSA-N
XLogP5.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.92
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(1,4-diethoxybutoxytetrasulfanyl)propylsilane
CID 123947780
1,6-diethoxydecane
CID 150917298
5-butoxy-1-ethoxyheptane
CID 57247506
N-[2-[1-(4-ethoxybutoxy)ethyldisulfanyl]ethyl]propan-2-amine
CID 163281710
1-ethoxy-17-methyloctadecane
CID 91042875
1-(6-ethoxyhexoxy)ethane-1,2-diamine
CID 87666943
5-chloro-1-ethoxyhexane
CID 64515389
14-ethoxytetradecane-1,3-diol
CID 57222760
1,4-diethoxydecane
CID 140997951
4-bromo-1-(2-ethoxyethoxy)pentane
CID 54122384
2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde
CID 175620822
3-decylsulfanyl-2-[3-[3-(3-decylsulfanyldecan-2-yloxy)propoxy]propoxy]decane
CID 142755598

Frequently Asked Questions

What is the IUPAC name of CID 155760558?
The IUPAC name of CID 155760558 (CID 155760558) is not available.
What is the SMILES notation for CID 155760558?
The canonical SMILES for CID 155760558 is CCOCCCCOC([Si])CCSSSSCCC([Si])OCCCCOCC.
What is the InChIKey of CID 155760558?
The InChIKey is DPGIFHUBFINPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4S4Si2/c1-3-19-11-5-7-13-21-17(27)9-15-23-25-26-24-16-10-18(28)22-14-8-6-12-20-4-2/h17-18H,3-16H2,1-2H3.
What are the key properties of CID 155760558?
CID 155760558 has a molecular weight of 500.92 g/mol, XLogP of 5.10, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155760558 is sourced from PubChem (CID 155760558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).