2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol

C8H20O3SSi — CID 175127070

IUPAC2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol
SMILESCO[Si](C)(OC)C(CO)CCCS
InChIInChI=1S/C8H20O3SSi/c1-10-13(3,11-2)8(7-9)5-4-6-12/h8-9,12H,4-7H2,1-3H3
InChIKeyQUZIKCRUTLXUBG-UHFFFAOYSA-N
MW224.40 g/mol
LogP1.42
Rot. Bonds7

About 2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol

2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol (PubChem CID 175127070) has the molecular formula C8H20O3SSi and a molecular weight of 224.40 g/mol. Its IUPAC name is 2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol.

Molecular Properties

Compound Name2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol
PubChem CID175127070
Molecular FormulaC8H20O3SSi
Molecular Weight224.40 g/mol
Exact Mass224.09
IUPAC Name2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol
SMILESCO[Si](C)(OC)C(CO)CCCS
InChIInChI=1S/C8H20O3SSi/c1-10-13(3,11-2)8(7-9)5-4-6-12/h8-9,12H,4-7H2,1-3H3
InChIKeyQUZIKCRUTLXUBG-UHFFFAOYSA-N
XLogP1.42
TPSA38.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-sulfanyl-3-tripropoxysilylhexan-1-ol
CID 123809928
2,5-bis(sulfanyl)pentan-1-ol
CID 90911589
3-methyl-6-sulfanylhexan-1-ol
CID 87063689
CID 173368229
CID 173368229
(4S)-4,5,6-trimethylhept-5-ene-1-thiol
CID 89079545
7-[dimethoxy(methyl)silyl]heptane-1-thiol
CID 151105350
6-[dimethoxy(methyl)silyl]hexane-1-thiol
CID 158410124
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
1-[methoxy(3-sulfanylpropyl)silyl]ethane-1,2-diol
CID 123832327
1-[dimethoxy(methyl)silyl]propane-1-thiol
CID 21264804
2,10-bis(hydroxymethyl)-6-(2-sulfanylethyl)undecane-1,11-diol
CID 134417180

Frequently Asked Questions

What is the IUPAC name of 2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol?
The IUPAC name of 2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol (CID 175127070) is 2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol.
What is the SMILES notation for 2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol?
The canonical SMILES for 2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol is CO[Si](C)(OC)C(CO)CCCS.
What is the InChIKey of 2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol?
The InChIKey is QUZIKCRUTLXUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3SSi/c1-10-13(3,11-2)8(7-9)5-4-6-12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol?
2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol has a molecular weight of 224.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol is sourced from PubChem (CID 175127070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).