2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol

C12H22OS — CID 105090438

IUPAC2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol
SMILESCC1(C(O)CC2CCCC2)CCCS1
InChIInChI=1S/C12H22OS/c1-12(7-4-8-14-12)11(13)9-10-5-2-3-6-10/h10-11,13H,2-9H2,1H3
InChIKeyRPAKHRKNMFDZDV-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.21
Rot. Bonds3

About 2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol

2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol (PubChem CID 105090438) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol
PubChem CID105090438
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol
SMILESCC1(C(O)CC2CCCC2)CCCS1
InChIInChI=1S/C12H22OS/c1-12(7-4-8-14-12)11(13)9-10-5-2-3-6-10/h10-11,13H,2-9H2,1H3
InChIKeyRPAKHRKNMFDZDV-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-1-(2-methylthiolan-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-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol?
The IUPAC name of 2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol (CID 105090438) is 2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol.
What is the SMILES notation for 2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol?
The canonical SMILES for 2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol is CC1(C(O)CC2CCCC2)CCCS1.
What is the InChIKey of 2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol?
The InChIKey is RPAKHRKNMFDZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-12(7-4-8-14-12)11(13)9-10-5-2-3-6-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol?
2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol has a molecular weight of 214.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol is sourced from PubChem (CID 105090438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).