(3R)-3-hydroxy-6-propylsulfanylhexanoic acid

C9H18O3S — CID 71362295

IUPAC(3R)-3-hydroxy-6-propylsulfanylhexanoic acid
SMILESCCCSCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C9H18O3S/c1-2-5-13-6-3-4-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyRHSMYMVNMUQOFG-MRVPVSSYSA-N
MW206.31 g/mol
LogP1.75
Rot. Bonds8

About (3R)-3-hydroxy-6-propylsulfanylhexanoic acid

(3R)-3-hydroxy-6-propylsulfanylhexanoic acid (PubChem CID 71362295) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is (3R)-3-hydroxy-6-propylsulfanylhexanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-6-propylsulfanylhexanoic acid
PubChem CID71362295
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name(3R)-3-hydroxy-6-propylsulfanylhexanoic acid
SMILESCCCSCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C9H18O3S/c1-2-5-13-6-3-4-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyRHSMYMVNMUQOFG-MRVPVSSYSA-N
XLogP1.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxyoctanoic acid
CID 159718411
2-hydroxy-5-propylsulfanylpentanoic acid
CID 88537858
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxyhexanoic acid;methane
CID 175209406
(3S)-3-hydroxyheptanedioic acid
CID 87737490
3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
9-amino-3-hydroxyundecanoic acid
CID 175426923
(3R,5R)-3,5-dihydroxydocosanoic acid
CID 102203188
(Z,3R)-3-hydroxytetradec-7-enoic acid
CID 24881363

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-6-propylsulfanylhexanoic acid?
The IUPAC name of (3R)-3-hydroxy-6-propylsulfanylhexanoic acid (CID 71362295) is (3R)-3-hydroxy-6-propylsulfanylhexanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-6-propylsulfanylhexanoic acid?
The canonical SMILES for (3R)-3-hydroxy-6-propylsulfanylhexanoic acid is CCCSCCC[C@@H](O)CC(=O)O.
What is the InChIKey of (3R)-3-hydroxy-6-propylsulfanylhexanoic acid?
The InChIKey is RHSMYMVNMUQOFG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-2-5-13-6-3-4-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (3R)-3-hydroxy-6-propylsulfanylhexanoic acid?
(3R)-3-hydroxy-6-propylsulfanylhexanoic acid has a molecular weight of 206.31 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-6-propylsulfanylhexanoic acid is sourced from PubChem (CID 71362295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).