3-ethoxysilyl-3-methylbutane-1-thiol

C7H18OSSi — CID 154092584

IUPAC3-ethoxysilyl-3-methylbutane-1-thiol
SMILESCCO[SiH2]C(C)(C)CCS
InChIInChI=1S/C7H18OSSi/c1-4-8-10-7(2,3)5-6-9/h9H,4-6,10H2,1-3H3
InChIKeySDXRDDOFYIGTRU-UHFFFAOYSA-N
MW178.37 g/mol
LogP1.63
Rot. Bonds5

About 3-ethoxysilyl-3-methylbutane-1-thiol

3-ethoxysilyl-3-methylbutane-1-thiol (PubChem CID 154092584) has the molecular formula C7H18OSSi and a molecular weight of 178.37 g/mol. Its IUPAC name is 3-ethoxysilyl-3-methylbutane-1-thiol.

Molecular Properties

Compound Name3-ethoxysilyl-3-methylbutane-1-thiol
PubChem CID154092584
Molecular FormulaC7H18OSSi
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name3-ethoxysilyl-3-methylbutane-1-thiol
SMILESCCO[SiH2]C(C)(C)CCS
InChIInChI=1S/C7H18OSSi/c1-4-8-10-7(2,3)5-6-9/h9H,4-6,10H2,1-3H3
InChIKeySDXRDDOFYIGTRU-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[4-(disulfanyl)-2-methylbutan-2-yl]-ethoxysilane
CID 151651350
3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine
CID 154087119
ethoxy(2-methylnonadecan-2-yl)silane
CID 173228769
ethoxy(2-methylbutan-2-yl)silane
CID 123886977
N',N'-bis(3-ethoxysilyl-3-methylbutyl)dodecane-1,12-diamine
CID 173222832
1,1-diethoxyethyl(ethoxy)silane
CID 164998800
2,3-dimethylbutan-2-yl(ethoxy)silane
CID 123706979
3,3,3-tris(methoxysilyl)propane-1-thiol
CID 123836993
6-ethoxysilyl-4,6-dimethylhept-3-en-1-amine
CID 173078593
1,1-bis(ethoxysilyl)ethyl acetate
CID 175177816
O-(2-ethoxysilylpropan-2-yl) ethanethioate
CID 154082675
3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine
CID 157340694

Frequently Asked Questions

What is the IUPAC name of 3-ethoxysilyl-3-methylbutane-1-thiol?
The IUPAC name of 3-ethoxysilyl-3-methylbutane-1-thiol (CID 154092584) is 3-ethoxysilyl-3-methylbutane-1-thiol.
What is the SMILES notation for 3-ethoxysilyl-3-methylbutane-1-thiol?
The canonical SMILES for 3-ethoxysilyl-3-methylbutane-1-thiol is CCO[SiH2]C(C)(C)CCS.
What is the InChIKey of 3-ethoxysilyl-3-methylbutane-1-thiol?
The InChIKey is SDXRDDOFYIGTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OSSi/c1-4-8-10-7(2,3)5-6-9/h9H,4-6,10H2,1-3H3.
What are the key properties of 3-ethoxysilyl-3-methylbutane-1-thiol?
3-ethoxysilyl-3-methylbutane-1-thiol has a molecular weight of 178.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxysilyl-3-methylbutane-1-thiol is sourced from PubChem (CID 154092584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).