1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol

C12H20OSSi — CID 10633820

IUPAC1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol
SMILESC=C(CC(O)c1cccs1)C[Si](C)(C)C
InChIInChI=1S/C12H20OSSi/c1-10(9-15(2,3)4)8-11(13)12-6-5-7-14-12/h5-7,11,13H,1,8-9H2,2-4H3
InChIKeyWDGBBOWDTRRWGV-UHFFFAOYSA-N
MW240.44 g/mol
LogP4.07
Rot. Bonds5

About 1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol

1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol (PubChem CID 10633820) has the molecular formula C12H20OSSi and a molecular weight of 240.44 g/mol. Its IUPAC name is 1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol.

Molecular Properties

Compound Name1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol
PubChem CID10633820
Molecular FormulaC12H20OSSi
Molecular Weight240.44 g/mol
Exact Mass240.10
IUPAC Name1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol
SMILESC=C(CC(O)c1cccs1)C[Si](C)(C)C
InChIInChI=1S/C12H20OSSi/c1-10(9-15(2,3)4)8-11(13)12-6-5-7-14-12/h5-7,11,13H,1,8-9H2,2-4H3
InChIKeyWDGBBOWDTRRWGV-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 102782
(1S)-1-(thiophen-2-yl)ethan-1-ol
CID 10887923
1-(Thiophen-2-yl)propan-1-ol
CID 13566813
(1R)-1-(2-Thienyl)ethanol
CID 11062410
{2-[Dimethyl(thiophen-2-yl)silyl]phenyl}methanol
CID 11242115
alpha-Cyclopropyl-2-thiophenemethanol
CID 98065
2-Thiophenemethanol, alpha-ethenyl-
CID 11434996
alpha-Pentyl-2-thiophenemethanol
CID 17837564
1-Thiophen-2-yl-but-3-en-1-ol
CID 10725573
(1S)-1-thiophen-2-ylpropan-1-ol
CID 11480502
(1S)-1-thiophen-2-ylbut-3-en-1-ol
CID 12548530
1-(Thiophen-2-yl)-3-(trimethylsilyl)prop-2-yn-1-ol
CID 15531430

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol?
The IUPAC name of 1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol (CID 10633820) is 1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol.
What is the SMILES notation for 1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol?
The canonical SMILES for 1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol is C=C(CC(O)c1cccs1)C[Si](C)(C)C.
What is the InChIKey of 1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol?
The InChIKey is WDGBBOWDTRRWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSSi/c1-10(9-15(2,3)4)8-11(13)12-6-5-7-14-12/h5-7,11,13H,1,8-9H2,2-4H3.
What are the key properties of 1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol?
1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol has a molecular weight of 240.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3-(trimethylsilylmethyl)but-3-en-1-ol is sourced from PubChem (CID 10633820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).