2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol

C10H16OS — CID 135172339

IUPAC2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol
SMILESC=C1C=C(CC)C(C)(CCO)S1
InChIInChI=1S/C10H16OS/c1-4-9-7-8(2)12-10(9,3)5-6-11/h7,11H,2,4-6H2,1,3H3
InChIKeyUXJDJPCKSBAJSW-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol

2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol (PubChem CID 135172339) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol
PubChem CID135172339
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol
SMILESC=C1C=C(CC)C(C)(CCO)S1
InChIInChI=1S/C10H16OS/c1-4-9-7-8(2)12-10(9,3)5-6-11/h7,11H,2,4-6H2,1,3H3
InChIKeyUXJDJPCKSBAJSW-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol?
The IUPAC name of 2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol (CID 135172339) is 2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol is C=C1C=C(CC)C(C)(CCO)S1.
What is the InChIKey of 2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol?
The InChIKey is UXJDJPCKSBAJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-4-9-7-8(2)12-10(9,3)5-6-11/h7,11H,2,4-6H2,1,3H3.
What are the key properties of 2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol?
2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol has a molecular weight of 184.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methyl-5-methylidenethiophen-2-yl)ethanol is sourced from PubChem (CID 135172339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).