2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol

C10H20OS — CID 118437122

IUPAC2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol
SMILESCC(C)C1CCC(C)(CCO)S1
InChIInChI=1S/C10H20OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9,11H,4-7H2,1-3H3
InChIKeyXFOGVCZMBNJHTB-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.68
Rot. Bonds3

About 2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol

2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol (PubChem CID 118437122) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol
PubChem CID118437122
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol
SMILESCC(C)C1CCC(C)(CCO)S1
InChIInChI=1S/C10H20OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9,11H,4-7H2,1-3H3
InChIKeyXFOGVCZMBNJHTB-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methyl-5-propan-2-ylthiolan-2-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-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol?
The IUPAC name of 2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol (CID 118437122) is 2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol is CC(C)C1CCC(C)(CCO)S1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol?
The InChIKey is XFOGVCZMBNJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol?
2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol has a molecular weight of 188.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylthiolan-2-yl)ethanol is sourced from PubChem (CID 118437122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).