2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol

C11H22OS — CID 123238346

IUPAC2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol
SMILESCCC1OCC(CCS)C1C(C)C
InChIInChI=1S/C11H22OS/c1-4-10-11(8(2)3)9(5-6-13)7-12-10/h8-11,13H,4-7H2,1-3H3
InChIKeyBGVRNLBTFCOELM-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.00
Rot. Bonds4

About 2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol

2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol (PubChem CID 123238346) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol.

Molecular Properties

Compound Name2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol
PubChem CID123238346
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol
SMILESCCC1OCC(CCS)C1C(C)C
InChIInChI=1S/C11H22OS/c1-4-10-11(8(2)3)9(5-6-13)7-12-10/h8-11,13H,4-7H2,1-3H3
InChIKeyBGVRNLBTFCOELM-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol 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-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol?
The IUPAC name of 2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol (CID 123238346) is 2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol.
What is the SMILES notation for 2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol?
The canonical SMILES for 2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol is CCC1OCC(CCS)C1C(C)C.
What is the InChIKey of 2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol?
The InChIKey is BGVRNLBTFCOELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-4-10-11(8(2)3)9(5-6-13)7-12-10/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol?
2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol has a molecular weight of 202.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-propan-2-yloxolan-3-yl)ethanethiol is sourced from PubChem (CID 123238346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).