2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol

C10H18OS — CID 118437128

IUPAC2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol
SMILESCC(C)C1C=CC(C)(CCO)S1
InChIInChI=1S/C10H18OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyIGASPNAHYJAIIN-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.46
Rot. Bonds3

About 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol

2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol (PubChem CID 118437128) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol
PubChem CID118437128
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol
SMILESCC(C)C1C=CC(C)(CCO)S1
InChIInChI=1S/C10H18OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyIGASPNAHYJAIIN-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol?
The IUPAC name of 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol (CID 118437128) is 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol.
What is the SMILES notation for 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol?
The canonical SMILES for 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol is CC(C)C1C=CC(C)(CCO)S1.
What is the InChIKey of 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol?
The InChIKey is IGASPNAHYJAIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h4-5,8-9,11H,6-7H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol?
2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol has a molecular weight of 186.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol is sourced from PubChem (CID 118437128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).