2-ethyl-1-thiophen-2-ylhexan-1-ol

C12H20OS — CID 61087313

IUPAC2-ethyl-1-thiophen-2-ylhexan-1-ol
SMILESCCCCC(CC)C(O)c1cccs1
InChIInChI=1S/C12H20OS/c1-3-5-7-10(4-2)12(13)11-8-6-9-14-11/h6,8-10,12-13H,3-5,7H2,1-2H3
InChIKeyGTGYXKFNHPDGGE-UHFFFAOYSA-N
MW212.36 g/mol
LogP4.00
Rot. Bonds6

About 2-ethyl-1-thiophen-2-ylhexan-1-ol

2-ethyl-1-thiophen-2-ylhexan-1-ol (PubChem CID 61087313) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-ethyl-1-thiophen-2-ylhexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-thiophen-2-ylhexan-1-ol
PubChem CID61087313
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-ethyl-1-thiophen-2-ylhexan-1-ol
SMILESCCCCC(CC)C(O)c1cccs1
InChIInChI=1S/C12H20OS/c1-3-5-7-10(4-2)12(13)11-8-6-9-14-11/h6,8-10,12-13H,3-5,7H2,1-2H3
InChIKeyGTGYXKFNHPDGGE-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851
1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol
CID 61087799
4-ethyl-1-thiophen-2-yloct-1-yn-3-ol
CID 146003764
2-[(1-hydroxy-1-thiophen-2-ylbutan-2-yl)amino]hexanoic acid
CID 82314525
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
2-heptadecan-5-ylthiophene
CID 19734009
2-(pentylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314420
2-(2-chloro-3-ethylheptyl)thiophene
CID 63519016
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
2-tetradecan-7-ylthiophene
CID 137450901
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
2-thiophen-2-ylhexanehydrazide
CID 174523282

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-thiophen-2-ylhexan-1-ol?
The IUPAC name of 2-ethyl-1-thiophen-2-ylhexan-1-ol (CID 61087313) is 2-ethyl-1-thiophen-2-ylhexan-1-ol.
What is the SMILES notation for 2-ethyl-1-thiophen-2-ylhexan-1-ol?
The canonical SMILES for 2-ethyl-1-thiophen-2-ylhexan-1-ol is CCCCC(CC)C(O)c1cccs1.
What is the InChIKey of 2-ethyl-1-thiophen-2-ylhexan-1-ol?
The InChIKey is GTGYXKFNHPDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-3-5-7-10(4-2)12(13)11-8-6-9-14-11/h6,8-10,12-13H,3-5,7H2,1-2H3.
What are the key properties of 2-ethyl-1-thiophen-2-ylhexan-1-ol?
2-ethyl-1-thiophen-2-ylhexan-1-ol has a molecular weight of 212.36 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-thiophen-2-ylhexan-1-ol is sourced from PubChem (CID 61087313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).