4-methyl-1-(thiolan-2-yl)pentan-1-ol

C10H20OS — CID 80622430

IUPAC4-methyl-1-(thiolan-2-yl)pentan-1-ol
SMILESCC(C)CCC(O)C1CCCS1
InChIInChI=1S/C10H20OS/c1-8(2)5-6-9(11)10-4-3-7-12-10/h8-11H,3-7H2,1-2H3
InChIKeyDEQBLHFEVQPLSG-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.68
Rot. Bonds4

About 4-methyl-1-(thiolan-2-yl)pentan-1-ol

4-methyl-1-(thiolan-2-yl)pentan-1-ol (PubChem CID 80622430) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-methyl-1-(thiolan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(thiolan-2-yl)pentan-1-ol
PubChem CID80622430
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name4-methyl-1-(thiolan-2-yl)pentan-1-ol
SMILESCC(C)CCC(O)C1CCCS1
InChIInChI=1S/C10H20OS/c1-8(2)5-6-9(11)10-4-3-7-12-10/h8-11H,3-7H2,1-2H3
InChIKeyDEQBLHFEVQPLSG-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 4-methyl-1-(thiolan-2-yl)pentan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

4,4-dimethyl-1-(thiolan-2-yl)pentan-1-ol
CID 80623256
4-methyl-1-(thiolan-2-yl)pentan-1-amine
CID 80622583
4-methoxy-1-(thian-2-yl)butan-1-ol
CID 114854963
5-methyl-1-(thiolan-2-yl)hexan-1-amine
CID 83160752
3-methyl-1-(thian-2-yl)pentan-1-ol
CID 80621983
2-methoxy-1-(thian-2-yl)ethanol
CID 80622694
1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 80623136
1-(1,4-dithian-2-yl)-5-methylhexan-1-ol
CID 83161548
1-(thiolan-2-yl)ethylhydrazine
CID 105255514
2-butan-2-ylthiolane;ethane;propane
CID 142062974
2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
CID 80621626
2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol
CID 80623267

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thiolan-2-yl)pentan-1-ol?
The IUPAC name of 4-methyl-1-(thiolan-2-yl)pentan-1-ol (CID 80622430) is 4-methyl-1-(thiolan-2-yl)pentan-1-ol.
What is the SMILES notation for 4-methyl-1-(thiolan-2-yl)pentan-1-ol?
The canonical SMILES for 4-methyl-1-(thiolan-2-yl)pentan-1-ol is CC(C)CCC(O)C1CCCS1.
What is the InChIKey of 4-methyl-1-(thiolan-2-yl)pentan-1-ol?
The InChIKey is DEQBLHFEVQPLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(2)5-6-9(11)10-4-3-7-12-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-methyl-1-(thiolan-2-yl)pentan-1-ol?
4-methyl-1-(thiolan-2-yl)pentan-1-ol has a molecular weight of 188.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(thiolan-2-yl)pentan-1-ol is sourced from PubChem (CID 80622430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).