(5R)-5-hydroxyhexanoate

C6H11O3- — CID 7131042

IUPAC(5R)-5-hydroxyhexanoate
SMILESC[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/p-1/t5-/m1/s1
InChIKeyYDCRNMJQROAWFT-RXMQYKEDSA-M
MW131.15 g/mol
LogP-0.71
Rot. Bonds4

About (5R)-5-hydroxyhexanoate

(5R)-5-hydroxyhexanoate (PubChem CID 7131042) has the molecular formula C6H11O3- and a molecular weight of 131.15 g/mol. Its IUPAC name is (5R)-5-hydroxyhexanoate.

Molecular Properties

Compound Name(5R)-5-hydroxyhexanoate
PubChem CID7131042
Molecular FormulaC6H11O3-
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(5R)-5-hydroxyhexanoate
SMILESC[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/p-1/t5-/m1/s1
InChIKeyYDCRNMJQROAWFT-RXMQYKEDSA-M
XLogP-0.71
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxyoctanoate
CID 20848985
sodium 5-methylhexanoate
CID 58914873
2,10-dihydroxyundecan-6-one
CID 56979503
dipotassium;2-methylhexanedioate
CID 88781923
potassium 5-hydroxyheptanoate
CID 23698795
6-methylheptanoate;rubidium(1+)
CID 88757744
tris(6-methylheptanoate);terbium(3+)
CID 175061376
mercury(1+);6-methylheptanoate
CID 175025687
5-hydroxy-6-methylhept-6-enoate
CID 22417307
5-hydroxyoctadecanoate
CID 126456525
8-hydroxy-2-methylnonan-4-one
CID 57006312
sodium 13-methyltetradecanoate
CID 44515571

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxyhexanoate?
The IUPAC name of (5R)-5-hydroxyhexanoate (CID 7131042) is (5R)-5-hydroxyhexanoate.
What is the SMILES notation for (5R)-5-hydroxyhexanoate?
The canonical SMILES for (5R)-5-hydroxyhexanoate is C[C@@H](O)CCCC(=O)[O-].
What is the InChIKey of (5R)-5-hydroxyhexanoate?
The InChIKey is YDCRNMJQROAWFT-RXMQYKEDSA-M. The full InChI is InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/p-1/t5-/m1/s1.
What are the key properties of (5R)-5-hydroxyhexanoate?
(5R)-5-hydroxyhexanoate has a molecular weight of 131.15 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxyhexanoate is sourced from PubChem (CID 7131042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).