29-triethoxysilylnonacosane-1-thiol

C35H74O3SSi — CID 87683851

IUPAC29-triethoxysilylnonacosane-1-thiol
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCS)(OCC)OCC
InChIInChI=1S/C35H74O3SSi/c1-4-36-40(37-5-2,38-6-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39/h39H,4-35H2,1-3H3
InChIKeyGFIZNBZWLOHZRU-UHFFFAOYSA-N
MW603.13 g/mol
LogP12.50
Rot. Bonds35

About 29-triethoxysilylnonacosane-1-thiol

29-triethoxysilylnonacosane-1-thiol (PubChem CID 87683851) has the molecular formula C35H74O3SSi and a molecular weight of 603.13 g/mol. Its IUPAC name is 29-triethoxysilylnonacosane-1-thiol.

Molecular Properties

Compound Name29-triethoxysilylnonacosane-1-thiol
PubChem CID87683851
Molecular FormulaC35H74O3SSi
Molecular Weight603.13 g/mol
Exact Mass602.51
IUPAC Name29-triethoxysilylnonacosane-1-thiol
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCS)(OCC)OCC
InChIInChI=1S/C35H74O3SSi/c1-4-36-40(37-5-2,38-6-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39/h39H,4-35H2,1-3H3
InChIKeyGFIZNBZWLOHZRU-UHFFFAOYSA-N
XLogP12.50
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds35
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.13
LogP ≤ 512.50
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'}

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Related Compounds

20-triethoxysilylicosane-1-thiol
CID 87684173
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
benzene;3-triethoxysilylpropane-1-thiol
CID 157185435
triethoxy(henicosyl)silane
CID 141362894
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
silane;triethoxy(tetradecyl)silane
CID 161365398
12-[diethoxy(ethyl)silyl]dodecane-1-thiol
CID 87831762

Frequently Asked Questions

What is the IUPAC name of 29-triethoxysilylnonacosane-1-thiol?
The IUPAC name of 29-triethoxysilylnonacosane-1-thiol (CID 87683851) is 29-triethoxysilylnonacosane-1-thiol.
What is the SMILES notation for 29-triethoxysilylnonacosane-1-thiol?
The canonical SMILES for 29-triethoxysilylnonacosane-1-thiol is CCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCS)(OCC)OCC.
What is the InChIKey of 29-triethoxysilylnonacosane-1-thiol?
The InChIKey is GFIZNBZWLOHZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H74O3SSi/c1-4-36-40(37-5-2,38-6-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39/h39H,4-35H2,1-3H3.
What are the key properties of 29-triethoxysilylnonacosane-1-thiol?
29-triethoxysilylnonacosane-1-thiol has a molecular weight of 603.13 g/mol, XLogP of 12.50, 35 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 29-triethoxysilylnonacosane-1-thiol is sourced from PubChem (CID 87683851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).