4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol

C15H30O3SSi — CID 10064508

IUPAC4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol
SMILESC[Si](C)(C)CCOCOC(CCO)CC1=CCCCS1
InChIInChI=1S/C15H30O3SSi/c1-20(2,3)11-9-17-13-18-14(7-8-16)12-15-6-4-5-10-19-15/h6,14,16H,4-5,7-13H2,1-3H3
InChIKeyLOUSLFAUOUJOHW-UHFFFAOYSA-N
MW318.56 g/mol
LogP3.87
Rot. Bonds10

About 4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol

4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol (PubChem CID 10064508) has the molecular formula C15H30O3SSi and a molecular weight of 318.56 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol
PubChem CID10064508
Molecular FormulaC15H30O3SSi
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Name4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol
SMILESC[Si](C)(C)CCOCOC(CCO)CC1=CCCCS1
InChIInChI=1S/C15H30O3SSi/c1-20(2,3)11-9-17-13-18-14(7-8-16)12-15-6-4-5-10-19-15/h6,14,16H,4-5,7-13H2,1-3H3
InChIKeyLOUSLFAUOUJOHW-UHFFFAOYSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol?
The IUPAC name of 4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol (CID 10064508) is 4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol is C[Si](C)(C)CCOCOC(CCO)CC1=CCCCS1.
What is the InChIKey of 4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol?
The InChIKey is LOUSLFAUOUJOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3SSi/c1-20(2,3)11-9-17-13-18-14(7-8-16)12-15-6-4-5-10-19-15/h6,14,16H,4-5,7-13H2,1-3H3.
What are the key properties of 4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol?
4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol has a molecular weight of 318.56 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol is sourced from PubChem (CID 10064508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).