2-(3-methoxythietan-3-yl)acetic acid

C6H10O3S — CID 105431932

IUPAC2-(3-methoxythietan-3-yl)acetic acid
SMILESCOC1(CC(=O)O)CSC1
InChIInChI=1S/C6H10O3S/c1-9-6(2-5(7)8)3-10-4-6/h2-4H2,1H3,(H,7,8)
InChIKeyOWVHTXCNDODKPM-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.59
Rot. Bonds3

About 2-(3-methoxythietan-3-yl)acetic acid

2-(3-methoxythietan-3-yl)acetic acid (PubChem CID 105431932) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-(3-methoxythietan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxythietan-3-yl)acetic acid
PubChem CID105431932
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-(3-methoxythietan-3-yl)acetic acid
SMILESCOC1(CC(=O)O)CSC1
InChIInChI=1S/C6H10O3S/c1-9-6(2-5(7)8)3-10-4-6/h2-4H2,1H3,(H,7,8)
InChIKeyOWVHTXCNDODKPM-UHFFFAOYSA-N
XLogP0.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxythietan-3-yl)acetic acid?
The IUPAC name of 2-(3-methoxythietan-3-yl)acetic acid (CID 105431932) is 2-(3-methoxythietan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-methoxythietan-3-yl)acetic acid?
The canonical SMILES for 2-(3-methoxythietan-3-yl)acetic acid is COC1(CC(=O)O)CSC1.
What is the InChIKey of 2-(3-methoxythietan-3-yl)acetic acid?
The InChIKey is OWVHTXCNDODKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-9-6(2-5(7)8)3-10-4-6/h2-4H2,1H3,(H,7,8).
What are the key properties of 2-(3-methoxythietan-3-yl)acetic acid?
2-(3-methoxythietan-3-yl)acetic acid has a molecular weight of 162.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxythietan-3-yl)acetic acid is sourced from PubChem (CID 105431932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).