2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid

C10H20O4S — CID 103377975

IUPAC2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid
SMILESCSCCCC(OC(C)C(C)O)C(=O)O
InChIInChI=1S/C10H20O4S/c1-7(11)8(2)14-9(10(12)13)5-4-6-15-3/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyZRFDPWGFCGODMP-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.37
Rot. Bonds8

About 2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid

2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid (PubChem CID 103377975) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid
PubChem CID103377975
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid
SMILESCSCCCC(OC(C)C(C)O)C(=O)O
InChIInChI=1S/C10H20O4S/c1-7(11)8(2)14-9(10(12)13)5-4-6-15-3/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyZRFDPWGFCGODMP-UHFFFAOYSA-N
XLogP1.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-methylsulfanylpentanoic acid
CID 103090629
3-hydroxy-6-methylsulfanyl-2-propan-2-ylhexanoic acid
CID 103090352
2-(2-hydroxypropanoyloxy)-4-methylsulfanylbutanoic acid
CID 87753702
2-aminooxy-4-methylsulfanylbutanoic acid
CID 548373
3-(1-carboxy-3-methylsulfanylpropoxy)-2-methyl-3-oxopropanoic acid
CID 87754457
7-methylsulfanyl-2-oxo-3-propan-2-ylheptanoic acid
CID 150207985
2-(2-methylsulfanylethyl)propanedioic acid
CID 87755273
2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))
CID 46207063
2-hydroxy-4-methylsulfanylbutanoic acid;manganese
CID 174627815
2-(2-hydroxyethoxy)-4-methylsulfanylbutanoic acid
CID 83224720
2-[formyl(methyl)amino]-5-methylsulfanylpentanoic acid
CID 103089381
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 87262145

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid?
The IUPAC name of 2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid (CID 103377975) is 2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid.
What is the SMILES notation for 2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid?
The canonical SMILES for 2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid is CSCCCC(OC(C)C(C)O)C(=O)O.
What is the InChIKey of 2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid?
The InChIKey is ZRFDPWGFCGODMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-7(11)8(2)14-9(10(12)13)5-4-6-15-3/h7-9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid?
2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid has a molecular weight of 236.33 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-yloxy)-5-methylsulfanylpentanoic acid is sourced from PubChem (CID 103377975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).