8-tri(propan-2-yloxy)silyloctane-1-thiol

C17H38O3SSi — CID 151398463

IUPAC8-tri(propan-2-yloxy)silyloctane-1-thiol
SMILESCC(C)O[Si](CCCCCCCCS)(OC(C)C)OC(C)C
InChIInChI=1S/C17H38O3SSi/c1-15(2)18-22(19-16(3)4,20-17(5)6)14-12-10-8-7-9-11-13-21/h15-17,21H,7-14H2,1-6H3
InChIKeyOVYWXENTBJEBQB-UHFFFAOYSA-N
MW350.64 g/mol
LogP5.47
Rot. Bonds14

About 8-tri(propan-2-yloxy)silyloctane-1-thiol

8-tri(propan-2-yloxy)silyloctane-1-thiol (PubChem CID 151398463) has the molecular formula C17H38O3SSi and a molecular weight of 350.64 g/mol. Its IUPAC name is 8-tri(propan-2-yloxy)silyloctane-1-thiol.

Molecular Properties

Compound Name8-tri(propan-2-yloxy)silyloctane-1-thiol
PubChem CID151398463
Molecular FormulaC17H38O3SSi
Molecular Weight350.64 g/mol
Exact Mass350.23
IUPAC Name8-tri(propan-2-yloxy)silyloctane-1-thiol
SMILESCC(C)O[Si](CCCCCCCCS)(OC(C)C)OC(C)C
InChIInChI=1S/C17H38O3SSi/c1-15(2)18-22(19-16(3)4,20-17(5)6)14-12-10-8-7-9-11-13-21/h15-17,21H,7-14H2,1-6H3
InChIKeyOVYWXENTBJEBQB-UHFFFAOYSA-N
XLogP5.47
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 55.47
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

tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylbutyl]silane
CID 87144652
methanethioic S-acid;octyl-tri(propan-2-yloxy)silane
CID 175341627
20-triethoxysilylicosane-1-thiol
CID 87684173
29-triethoxysilylnonacosane-1-thiol
CID 87683851
hexadecyl-dimethoxy-propan-2-yloxysilane
CID 154147118
1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea
CID 170548768
27-[chloro(dimethyl)silyl]heptacosane-1-thiol
CID 87683227
33-[chloro(dimethyl)silyl]tritriacontane-1-thiol
CID 87683373
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
N'-[2-tri(propan-2-yloxy)silylethyl]ethane-1,2-diamine
CID 140707750
tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90172630
3-[methoxy-di(propan-2-yloxy)silyl]propan-1-amine
CID 140917139

Frequently Asked Questions

What is the IUPAC name of 8-tri(propan-2-yloxy)silyloctane-1-thiol?
The IUPAC name of 8-tri(propan-2-yloxy)silyloctane-1-thiol (CID 151398463) is 8-tri(propan-2-yloxy)silyloctane-1-thiol.
What is the SMILES notation for 8-tri(propan-2-yloxy)silyloctane-1-thiol?
The canonical SMILES for 8-tri(propan-2-yloxy)silyloctane-1-thiol is CC(C)O[Si](CCCCCCCCS)(OC(C)C)OC(C)C.
What is the InChIKey of 8-tri(propan-2-yloxy)silyloctane-1-thiol?
The InChIKey is OVYWXENTBJEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3SSi/c1-15(2)18-22(19-16(3)4,20-17(5)6)14-12-10-8-7-9-11-13-21/h15-17,21H,7-14H2,1-6H3.
What are the key properties of 8-tri(propan-2-yloxy)silyloctane-1-thiol?
8-tri(propan-2-yloxy)silyloctane-1-thiol has a molecular weight of 350.64 g/mol, XLogP of 5.47, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tri(propan-2-yloxy)silyloctane-1-thiol is sourced from PubChem (CID 151398463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).