3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol

C12H20OS — CID 82927974

IUPAC3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
SMILESCCC(CC)CC(O)c1sccc1C
InChIInChI=1S/C12H20OS/c1-4-10(5-2)8-11(13)12-9(3)6-7-14-12/h6-7,10-11,13H,4-5,8H2,1-3H3
InChIKeyTVKYSLMBNATGSJ-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.92
Rot. Bonds5

About 3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol

3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol (PubChem CID 82927974) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
PubChem CID82927974
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
SMILESCCC(CC)CC(O)c1sccc1C
InChIInChI=1S/C12H20OS/c1-4-10(5-2)8-11(13)12-9(3)6-7-14-12/h6-7,10-11,13H,4-5,8H2,1-3H3
InChIKeyTVKYSLMBNATGSJ-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 65148368
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769
[3-ethyl-1-(3-methylthiophen-2-yl)heptyl]hydrazine
CID 105288379
2-(3-methylthiophen-2-yl)butane-1-thiol
CID 123457832
1-(3-methylthiophen-2-yl)hex-4-yn-1-ol
CID 104809425
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313
2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116751816
2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol
CID 103165435
3-methyl-2-(4-methylpentan-2-yl)thiophene
CID 58489062

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol?
The IUPAC name of 3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol (CID 82927974) is 3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol.
What is the SMILES notation for 3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol?
The canonical SMILES for 3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol is CCC(CC)CC(O)c1sccc1C.
What is the InChIKey of 3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol?
The InChIKey is TVKYSLMBNATGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-4-10(5-2)8-11(13)12-9(3)6-7-14-12/h6-7,10-11,13H,4-5,8H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol?
3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol has a molecular weight of 212.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol is sourced from PubChem (CID 82927974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).