trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane

C7H18O4SSi — CID 162406643

IUPACtrihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane
SMILESCOCCCSCCC[Si](O)(O)O
InChIInChI=1S/C7H18O4SSi/c1-11-4-2-5-12-6-3-7-13(8,9)10/h8-10H,2-7H2,1H3
InChIKeyDHVNDMWWGRNEPY-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.06
Rot. Bonds8

About trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane

trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane (PubChem CID 162406643) has the molecular formula C7H18O4SSi and a molecular weight of 226.37 g/mol. Its IUPAC name is trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane.

Molecular Properties

Compound Nametrihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane
PubChem CID162406643
Molecular FormulaC7H18O4SSi
Molecular Weight226.37 g/mol
Exact Mass226.07
IUPAC Nametrihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane
SMILESCOCCCSCCC[Si](O)(O)O
InChIInChI=1S/C7H18O4SSi/c1-11-4-2-5-12-6-3-7-13(8,9)10/h8-10H,2-7H2,1H3
InChIKeyDHVNDMWWGRNEPY-UHFFFAOYSA-N
XLogP0.06
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane?
The IUPAC name of trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane (CID 162406643) is trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane.
What is the SMILES notation for trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane?
The canonical SMILES for trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane is COCCCSCCC[Si](O)(O)O.
What is the InChIKey of trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane?
The InChIKey is DHVNDMWWGRNEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O4SSi/c1-11-4-2-5-12-6-3-7-13(8,9)10/h8-10H,2-7H2,1H3.
What are the key properties of trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane?
trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane has a molecular weight of 226.37 g/mol, XLogP of 0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[3-(3-methoxypropylsulfanyl)propyl]silane is sourced from PubChem (CID 162406643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).