4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol

C10H20O3S — CID 83191348

IUPAC4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol
SMILESCC(C)OCC(O)CC1CSCC1O
InChIInChI=1S/C10H20O3S/c1-7(2)13-4-9(11)3-8-5-14-6-10(8)12/h7-12H,3-6H2,1-2H3
InChIKeyXZFFYXCDIZCPAF-UHFFFAOYSA-N
MW220.33 g/mol
LogP0.89
Rot. Bonds5

About 4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol

4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol (PubChem CID 83191348) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol.

Molecular Properties

Compound Name4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol
PubChem CID83191348
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol
SMILESCC(C)OCC(O)CC1CSCC1O
InChIInChI=1S/C10H20O3S/c1-7(2)13-4-9(11)3-8-5-14-6-10(8)12/h7-12H,3-6H2,1-2H3
InChIKeyXZFFYXCDIZCPAF-UHFFFAOYSA-N
XLogP0.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol?
The IUPAC name of 4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol (CID 83191348) is 4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol.
What is the SMILES notation for 4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol?
The canonical SMILES for 4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol is CC(C)OCC(O)CC1CSCC1O.
What is the InChIKey of 4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol?
The InChIKey is XZFFYXCDIZCPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-7(2)13-4-9(11)3-8-5-14-6-10(8)12/h7-12H,3-6H2,1-2H3.
What are the key properties of 4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol?
4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol has a molecular weight of 220.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-propan-2-yloxypropyl)thiolan-3-ol is sourced from PubChem (CID 83191348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).