[hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol

C12H30O6SSi2 — CID 87153952

IUPAC[hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol
SMILESCO[Si](CO)(CO)CCCSCCC[Si](CO)(OC)OC
InChIInChI=1S/C12H30O6SSi2/c1-16-20(10-13,11-14)8-4-6-19-7-5-9-21(12-15,17-2)18-3/h13-15H,4-12H2,1-3H3
InChIKeyIFMVALRZSGRHGL-UHFFFAOYSA-N
MW358.61 g/mol
LogP0.42
Rot. Bonds14

About [hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol

[hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol (PubChem CID 87153952) has the molecular formula C12H30O6SSi2 and a molecular weight of 358.61 g/mol. Its IUPAC name is [hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol.

Molecular Properties

Compound Name[hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol
PubChem CID87153952
Molecular FormulaC12H30O6SSi2
Molecular Weight358.61 g/mol
Exact Mass358.13
IUPAC Name[hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol
SMILESCO[Si](CO)(CO)CCCSCCC[Si](CO)(OC)OC
InChIInChI=1S/C12H30O6SSi2/c1-16-20(10-13,11-14)8-4-6-19-7-5-9-21(12-15,17-2)18-3/h13-15H,4-12H2,1-3H3
InChIKeyIFMVALRZSGRHGL-UHFFFAOYSA-N
XLogP0.42
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[hydroxymethyl(dimethoxy)silyl]pentanamide
CID 165043119
[6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine
CID 162107731
2-[3-[hydroxymethyl(dimethoxy)silyl]propyl-methylamino]ethanol
CID 58827754
1-(3-trimethoxysilylpropylsulfanyl)propan-2-ol
CID 20776575
ethenyl(trimethoxy)silane;[hydroxymethyl-[2-[2-[1-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-3-[3-[2-[hydroxymethyl(dimethoxy)silyl]ethylsulfanyl]-2-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethylsulfanyl]ethyl]-methoxysilyl]methanol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol
CID 160519759
ethyl-dimethoxy-(3-methylsulfanylpropyl)silane
CID 140674075
[dimethoxy(3,3,3-trifluoropropyl)silyl]methanol
CID 89089396
[dimethoxy-[3-(3-methoxy-2-methylpropoxy)propyl]silyl]methanol
CID 123571023
1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol
CID 59435047
4-hydroxy-N-[3-[hydroxymethyl(dimethoxy)silyl]propyl]butanamide
CID 123596951
[but-3-enyl(dimethoxy)silyl]methanol;methane
CID 158812031
2-(2-trimethoxysilylethylsulfanyl)ethanol
CID 71335611

Frequently Asked Questions

What is the IUPAC name of [hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol?
The IUPAC name of [hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol (CID 87153952) is [hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol.
What is the SMILES notation for [hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol?
The canonical SMILES for [hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol is CO[Si](CO)(CO)CCCSCCC[Si](CO)(OC)OC.
What is the InChIKey of [hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol?
The InChIKey is IFMVALRZSGRHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O6SSi2/c1-16-20(10-13,11-14)8-4-6-19-7-5-9-21(12-15,17-2)18-3/h13-15H,4-12H2,1-3H3.
What are the key properties of [hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol?
[hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol has a molecular weight of 358.61 g/mol, XLogP of 0.42, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxymethyl-[3-[3-[hydroxymethyl(dimethoxy)silyl]propylsulfanyl]propyl]-methoxysilyl]methanol is sourced from PubChem (CID 87153952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).