2-(2-sulfanylethylsilyl)oxan-2-ol

C7H16O2SSi — CID 123484862

IUPAC2-(2-sulfanylethylsilyl)oxan-2-ol
SMILESOC1([SiH2]CCS)CCCCO1
InChIInChI=1S/C7H16O2SSi/c8-7(11-6-5-10)3-1-2-4-9-7/h8,10H,1-6,11H2
InChIKeyORGQPNXQSGXGKU-UHFFFAOYSA-N
MW192.36 g/mol
LogP0.35
Rot. Bonds3

About 2-(2-sulfanylethylsilyl)oxan-2-ol

2-(2-sulfanylethylsilyl)oxan-2-ol (PubChem CID 123484862) has the molecular formula C7H16O2SSi and a molecular weight of 192.36 g/mol. Its IUPAC name is 2-(2-sulfanylethylsilyl)oxan-2-ol.

Molecular Properties

Compound Name2-(2-sulfanylethylsilyl)oxan-2-ol
PubChem CID123484862
Molecular FormulaC7H16O2SSi
Molecular Weight192.36 g/mol
Exact Mass192.06
IUPAC Name2-(2-sulfanylethylsilyl)oxan-2-ol
SMILESOC1([SiH2]CCS)CCCCO1
InChIInChI=1S/C7H16O2SSi/c8-7(11-6-5-10)3-1-2-4-9-7/h8,10H,1-6,11H2
InChIKeyORGQPNXQSGXGKU-UHFFFAOYSA-N
XLogP0.35
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methoxysilyloxan-2-ol
CID 173452142
2-aminosilyl-2-methyloxane
CID 123466383
trimethoxy-[2-(2-methyloxan-2-yl)silylethyl]silane
CID 123215373
(2-methyloxan-2-yl)-tetradecylsilane
CID 175425313
(2R)-2-methyloxane-2-thiol
CID 177047771
butyl-(2-ethyloxan-2-yl)silane
CID 174787335
2,2-dimethyloxane;ethane;3-methylbutan-1-ol
CID 178173409
propyl-[2-(trifluoromethyl)oxan-2-yl]silane
CID 173308230
2-(chloromethyl)-2-methyl-1,3-dioxepane
CID 55303029
2,2-dimethyloxane;methanamine
CID 144836185
acetylene;1-methylcyclohexan-1-ol
CID 142432034
2-pentyloxan-2-ol
CID 10035063

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethylsilyl)oxan-2-ol?
The IUPAC name of 2-(2-sulfanylethylsilyl)oxan-2-ol (CID 123484862) is 2-(2-sulfanylethylsilyl)oxan-2-ol.
What is the SMILES notation for 2-(2-sulfanylethylsilyl)oxan-2-ol?
The canonical SMILES for 2-(2-sulfanylethylsilyl)oxan-2-ol is OC1([SiH2]CCS)CCCCO1.
What is the InChIKey of 2-(2-sulfanylethylsilyl)oxan-2-ol?
The InChIKey is ORGQPNXQSGXGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2SSi/c8-7(11-6-5-10)3-1-2-4-9-7/h8,10H,1-6,11H2.
What are the key properties of 2-(2-sulfanylethylsilyl)oxan-2-ol?
2-(2-sulfanylethylsilyl)oxan-2-ol has a molecular weight of 192.36 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethylsilyl)oxan-2-ol is sourced from PubChem (CID 123484862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).