1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol

C12H20OS — CID 115789383

IUPAC1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol
SMILESCCc1ccsc1C(O)CC(C)CC
InChIInChI=1S/C12H20OS/c1-4-9(3)8-11(13)12-10(5-2)6-7-14-12/h6-7,9,11,13H,4-5,8H2,1-3H3
InChIKeyFUXYKZZFIJPVLU-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.78
Rot. Bonds5

About 1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol

1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol (PubChem CID 115789383) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol
PubChem CID115789383
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol
SMILESCCc1ccsc1C(O)CC(C)CC
InChIInChI=1S/C12H20OS/c1-4-9(3)8-11(13)12-10(5-2)6-7-14-12/h6-7,9,11,13H,4-5,8H2,1-3H3
InChIKeyFUXYKZZFIJPVLU-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol (CID 115789383) is 1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol is CCc1ccsc1C(O)CC(C)CC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol?
The InChIKey is FUXYKZZFIJPVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-4-9(3)8-11(13)12-10(5-2)6-7-14-12/h6-7,9,11,13H,4-5,8H2,1-3H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol?
1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol has a molecular weight of 212.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 115789383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).