2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid

C10H18O4S — CID 61369660

IUPAC2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid
SMILESCC(SCCOC1CCCCO1)C(=O)O
InChIInChI=1S/C10H18O4S/c1-8(10(11)12)15-7-6-14-9-4-2-3-5-13-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyDDOUQLMAJGEJOE-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.74
Rot. Bonds6

About 2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid

2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid (PubChem CID 61369660) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid
PubChem CID61369660
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid
SMILESCC(SCCOC1CCCCO1)C(=O)O
InChIInChI=1S/C10H18O4S/c1-8(10(11)12)15-7-6-14-9-4-2-3-5-13-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyDDOUQLMAJGEJOE-UHFFFAOYSA-N
XLogP1.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(oxan-2-yloxy)ethylsulfanyl]butanoic acid
CID 105352822
2-[2-(oxan-2-yloxy)ethylsulfanyl]acetic acid
CID 61369469
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724
2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane
CID 142135457
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
2-(oxan-2-yloxy)propanoic acid
CID 542280
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
2,2-difluoro-4-(oxan-2-yloxy)butanoic acid
CID 115034304
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-(6-methylheptoxy)oxane
CID 139685112
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid?
The IUPAC name of 2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid (CID 61369660) is 2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid.
What is the SMILES notation for 2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid?
The canonical SMILES for 2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid is CC(SCCOC1CCCCO1)C(=O)O.
What is the InChIKey of 2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid?
The InChIKey is DDOUQLMAJGEJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-8(10(11)12)15-7-6-14-9-4-2-3-5-13-9/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid?
2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid has a molecular weight of 234.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid is sourced from PubChem (CID 61369660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).