4-ethyl-5-methyl-5-silyloxyhexane-1-thiol

C9H22OSSi — CID 174107415

IUPAC4-ethyl-5-methyl-5-silyloxyhexane-1-thiol
SMILESCCC(CCCS)C(C)(C)O[SiH3]
InChIInChI=1S/C9H22OSSi/c1-4-8(6-5-7-11)9(2,3)10-12/h8,11H,4-7H2,1-3,12H3
InChIKeyGSWIDFMSOXPSJI-UHFFFAOYSA-N
MW206.43 g/mol
LogP1.80
Rot. Bonds6

About 4-ethyl-5-methyl-5-silyloxyhexane-1-thiol

4-ethyl-5-methyl-5-silyloxyhexane-1-thiol (PubChem CID 174107415) has the molecular formula C9H22OSSi and a molecular weight of 206.43 g/mol. Its IUPAC name is 4-ethyl-5-methyl-5-silyloxyhexane-1-thiol.

Molecular Properties

Compound Name4-ethyl-5-methyl-5-silyloxyhexane-1-thiol
PubChem CID174107415
Molecular FormulaC9H22OSSi
Molecular Weight206.43 g/mol
Exact Mass206.12
IUPAC Name4-ethyl-5-methyl-5-silyloxyhexane-1-thiol
SMILESCCC(CCCS)C(C)(C)O[SiH3]
InChIInChI=1S/C9H22OSSi/c1-4-8(6-5-7-11)9(2,3)10-12/h8,11H,4-7H2,1-3,12H3
InChIKeyGSWIDFMSOXPSJI-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.43
LogP ≤ 51.80
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

(3-ethyl-2-methylheptan-2-yl)oxysilane
CID 172694489
2-methyl-2-silyloxypentane-3-thiol
CID 173157471
4-tert-butyldecane-1-thiol
CID 88900785
4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate
CID 173068945
(3-butan-2-yl-2-methylheptan-2-yl)oxysilane
CID 174476701
3-methyl-3-silyloxybutane-1,2-dithiol
CID 173230692
1,1-diethoxy-2-(3-sulfanylpropyl)decan-1-ol
CID 150178419
3-ethyl-2,2-dimethylheptane
CID 20686447
5,5,5-trimethoxy-4-silyloxypentane-1-thiol
CID 173313502
4-[tris(methylperoxy)methyl]dodecane-1-thiol
CID 151191840
tris[(3-butyl-2-methylheptan-2-yl)oxy]alumane
CID 141378882
11-(1-sulfanyltricosan-9-yl)tricosane-1,11,23-trithiol
CID 57048669

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-5-silyloxyhexane-1-thiol?
The IUPAC name of 4-ethyl-5-methyl-5-silyloxyhexane-1-thiol (CID 174107415) is 4-ethyl-5-methyl-5-silyloxyhexane-1-thiol.
What is the SMILES notation for 4-ethyl-5-methyl-5-silyloxyhexane-1-thiol?
The canonical SMILES for 4-ethyl-5-methyl-5-silyloxyhexane-1-thiol is CCC(CCCS)C(C)(C)O[SiH3].
What is the InChIKey of 4-ethyl-5-methyl-5-silyloxyhexane-1-thiol?
The InChIKey is GSWIDFMSOXPSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSSi/c1-4-8(6-5-7-11)9(2,3)10-12/h8,11H,4-7H2,1-3,12H3.
What are the key properties of 4-ethyl-5-methyl-5-silyloxyhexane-1-thiol?
4-ethyl-5-methyl-5-silyloxyhexane-1-thiol has a molecular weight of 206.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-5-silyloxyhexane-1-thiol is sourced from PubChem (CID 174107415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).