pentane;2-thiophen-2-ylethanol

C11H20OS — CID 70273807

IUPACpentane;2-thiophen-2-ylethanol
SMILESCCCCC.OCCc1cccs1
InChIInChI=1S/C6H8OS.C5H12/c7-4-3-6-2-1-5-8-6;1-3-5-4-2/h1-2,5,7H,3-4H2;3-5H2,1-2H3
InChIKeyWGELDFVZDBYWCU-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.48
Rot. Bonds4

About pentane;2-thiophen-2-ylethanol

pentane;2-thiophen-2-ylethanol (PubChem CID 70273807) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is pentane;2-thiophen-2-ylethanol.

Molecular Properties

Compound Namepentane;2-thiophen-2-ylethanol
PubChem CID70273807
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Namepentane;2-thiophen-2-ylethanol
SMILESCCCCC.OCCc1cccs1
InChIInChI=1S/C6H8OS.C5H12/c7-4-3-6-2-1-5-8-6;1-3-5-4-2/h1-2,5,7H,3-4H2;3-5H2,1-2H3
InChIKeyWGELDFVZDBYWCU-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-pentylthiophene
CID 143883800
2-butylthiophene;methanamine
CID 143080300
3-thiophen-2-ylpropan-1-ol
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methane;2-undecylthiophene
CID 175504380
10-thiophen-2-yldecan-1-ol
CID 22992199
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
2-(3,3-dimethylheptyl)thiophene
CID 57210788
2-(5-pentoxypentyl)thiophene
CID 91586139
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
8-thiophen-2-yloctan-4-ol
CID 64516293
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450

Frequently Asked Questions

What is the IUPAC name of pentane;2-thiophen-2-ylethanol?
The IUPAC name of pentane;2-thiophen-2-ylethanol (CID 70273807) is pentane;2-thiophen-2-ylethanol.
What is the SMILES notation for pentane;2-thiophen-2-ylethanol?
The canonical SMILES for pentane;2-thiophen-2-ylethanol is CCCCC.OCCc1cccs1.
What is the InChIKey of pentane;2-thiophen-2-ylethanol?
The InChIKey is WGELDFVZDBYWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS.C5H12/c7-4-3-6-2-1-5-8-6;1-3-5-4-2/h1-2,5,7H,3-4H2;3-5H2,1-2H3.
What are the key properties of pentane;2-thiophen-2-ylethanol?
pentane;2-thiophen-2-ylethanol has a molecular weight of 200.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;2-thiophen-2-ylethanol is sourced from PubChem (CID 70273807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).