3-propan-2-yloxythiolane-3-carboxylic acid

C8H14O3S — CID 82236576

IUPAC3-propan-2-yloxythiolane-3-carboxylic acid
SMILESCC(C)OC1(C(=O)O)CCSC1
InChIInChI=1S/C8H14O3S/c1-6(2)11-8(7(9)10)3-4-12-5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyAJJZTYUGUGTDPD-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.37
Rot. Bonds3

About 3-propan-2-yloxythiolane-3-carboxylic acid

3-propan-2-yloxythiolane-3-carboxylic acid (PubChem CID 82236576) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-propan-2-yloxythiolane-3-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yloxythiolane-3-carboxylic acid
PubChem CID82236576
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name3-propan-2-yloxythiolane-3-carboxylic acid
SMILESCC(C)OC1(C(=O)O)CCSC1
InChIInChI=1S/C8H14O3S/c1-6(2)11-8(7(9)10)3-4-12-5-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyAJJZTYUGUGTDPD-UHFFFAOYSA-N
XLogP1.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxythiolane-3-carboxylic acid?
The IUPAC name of 3-propan-2-yloxythiolane-3-carboxylic acid (CID 82236576) is 3-propan-2-yloxythiolane-3-carboxylic acid.
What is the SMILES notation for 3-propan-2-yloxythiolane-3-carboxylic acid?
The canonical SMILES for 3-propan-2-yloxythiolane-3-carboxylic acid is CC(C)OC1(C(=O)O)CCSC1.
What is the InChIKey of 3-propan-2-yloxythiolane-3-carboxylic acid?
The InChIKey is AJJZTYUGUGTDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-6(2)11-8(7(9)10)3-4-12-5-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-propan-2-yloxythiolane-3-carboxylic acid?
3-propan-2-yloxythiolane-3-carboxylic acid has a molecular weight of 190.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxythiolane-3-carboxylic acid is sourced from PubChem (CID 82236576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).