3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol

C20H44OSSi — CID 22251042

IUPAC3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol
SMILESCCCCCCCCCCCCCCO[Si](C)(C)CC(C)CS
InChIInChI=1S/C20H44OSSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23(3,4)19-20(2)18-22/h20,22H,5-19H2,1-4H3
InChIKeyQTRQDCKGCIIMKN-UHFFFAOYSA-N
MW360.72 g/mol
LogP7.48
Rot. Bonds17

About 3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol

3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol (PubChem CID 22251042) has the molecular formula C20H44OSSi and a molecular weight of 360.72 g/mol. Its IUPAC name is 3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol.

Molecular Properties

Compound Name3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol
PubChem CID22251042
Molecular FormulaC20H44OSSi
Molecular Weight360.72 g/mol
Exact Mass360.29
IUPAC Name3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol
SMILESCCCCCCCCCCCCCCO[Si](C)(C)CC(C)CS
InChIInChI=1S/C20H44OSSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23(3,4)19-20(2)18-22/h20,22H,5-19H2,1-4H3
InChIKeyQTRQDCKGCIIMKN-UHFFFAOYSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.72
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-(dodecoxy-hexadecoxy-tetradecoxysilyl)-2-methylpropane-1-thiol
CID 87098809
hexoxy-dimethyl-nonoxysilane
CID 91741085
hexoxy-dimethyl-undecoxysilane
CID 91742305
hexadecoxy-dimethyl-octylsilane
CID 627002
dodecoxy-dimethyl-octylsilane
CID 618139
butyl-dimethyl-octoxysilane
CID 604386
dimethyl-(2-methylbutoxy)-octadecoxysilane
CID 91744745
chloromethyl-dimethyl-tetradecoxysilane
CID 554899
docosoxy-dimethyl-(2-methylpropoxy)silane
CID 91745391
hexadecoxy-dimethyl-(4-methylpentoxy)silane
CID 91744434
heptoxy-dimethyl-(4-methylpentoxy)silane
CID 91739178
heptoxy-dimethyl-(2-methylpropoxy)silane
CID 91736684

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol?
The IUPAC name of 3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol (CID 22251042) is 3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol.
What is the SMILES notation for 3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol?
The canonical SMILES for 3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol is CCCCCCCCCCCCCCO[Si](C)(C)CC(C)CS.
What is the InChIKey of 3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol?
The InChIKey is QTRQDCKGCIIMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44OSSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23(3,4)19-20(2)18-22/h20,22H,5-19H2,1-4H3.
What are the key properties of 3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol?
3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol has a molecular weight of 360.72 g/mol, XLogP of 7.48, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol is sourced from PubChem (CID 22251042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).