4-(2-methylpentoxy)thiolan-3-ol

C10H20O2S — CID 18953002

IUPAC4-(2-methylpentoxy)thiolan-3-ol
SMILESCCCC(C)COC1CSCC1O
InChIInChI=1S/C10H20O2S/c1-3-4-8(2)5-12-10-7-13-6-9(10)11/h8-11H,3-7H2,1-2H3
InChIKeyPFLCHJTZLGDCKY-UHFFFAOYSA-N
MW204.33 g/mol
LogP1.92
Rot. Bonds5

About 4-(2-methylpentoxy)thiolan-3-ol

4-(2-methylpentoxy)thiolan-3-ol (PubChem CID 18953002) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 4-(2-methylpentoxy)thiolan-3-ol.

Molecular Properties

Compound Name4-(2-methylpentoxy)thiolan-3-ol
PubChem CID18953002
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name4-(2-methylpentoxy)thiolan-3-ol
SMILESCCCC(C)COC1CSCC1O
InChIInChI=1S/C10H20O2S/c1-3-4-8(2)5-12-10-7-13-6-9(10)11/h8-11H,3-7H2,1-2H3
InChIKeyPFLCHJTZLGDCKY-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentoxy)thiolan-3-ol?
The IUPAC name of 4-(2-methylpentoxy)thiolan-3-ol (CID 18953002) is 4-(2-methylpentoxy)thiolan-3-ol.
What is the SMILES notation for 4-(2-methylpentoxy)thiolan-3-ol?
The canonical SMILES for 4-(2-methylpentoxy)thiolan-3-ol is CCCC(C)COC1CSCC1O.
What is the InChIKey of 4-(2-methylpentoxy)thiolan-3-ol?
The InChIKey is PFLCHJTZLGDCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-3-4-8(2)5-12-10-7-13-6-9(10)11/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-(2-methylpentoxy)thiolan-3-ol?
4-(2-methylpentoxy)thiolan-3-ol has a molecular weight of 204.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentoxy)thiolan-3-ol is sourced from PubChem (CID 18953002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).