2-(1,4-oxathian-2-yl)acetic acid

C6H10O3S — CID 83669412

IUPAC2-(1,4-oxathian-2-yl)acetic acid
SMILESO=C(O)CC1CSCCO1
InChIInChI=1S/C6H10O3S/c7-6(8)3-5-4-10-2-1-9-5/h5H,1-4H2,(H,7,8)
InChIKeyUNUOQPWHUPOJRN-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.59
Rot. Bonds2

About 2-(1,4-oxathian-2-yl)acetic acid

2-(1,4-oxathian-2-yl)acetic acid (PubChem CID 83669412) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-(1,4-oxathian-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4-oxathian-2-yl)acetic acid
PubChem CID83669412
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-(1,4-oxathian-2-yl)acetic acid
SMILESO=C(O)CC1CSCCO1
InChIInChI=1S/C6H10O3S/c7-6(8)3-5-4-10-2-1-9-5/h5H,1-4H2,(H,7,8)
InChIKeyUNUOQPWHUPOJRN-UHFFFAOYSA-N
XLogP0.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(1,4-oxathian-2-yl)acetic acid?
The IUPAC name of 2-(1,4-oxathian-2-yl)acetic acid (CID 83669412) is 2-(1,4-oxathian-2-yl)acetic acid.
What is the SMILES notation for 2-(1,4-oxathian-2-yl)acetic acid?
The canonical SMILES for 2-(1,4-oxathian-2-yl)acetic acid is O=C(O)CC1CSCCO1.
What is the InChIKey of 2-(1,4-oxathian-2-yl)acetic acid?
The InChIKey is UNUOQPWHUPOJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c7-6(8)3-5-4-10-2-1-9-5/h5H,1-4H2,(H,7,8).
What are the key properties of 2-(1,4-oxathian-2-yl)acetic acid?
2-(1,4-oxathian-2-yl)acetic acid has a molecular weight of 162.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxathian-2-yl)acetic acid is sourced from PubChem (CID 83669412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).