[(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate

C8H16O4 — CID 155647482

IUPAC[(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate
SMILESC[C@H](CCO)OC(=O)C[C@@H](C)O
InChIInChI=1S/C8H16O4/c1-6(10)5-8(11)12-7(2)3-4-9/h6-7,9-10H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyQYYWATKDAYJXOR-RNFRBKRXSA-N
MW176.21 g/mol
LogP0.07
Rot. Bonds5

About [(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate

[(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate (PubChem CID 155647482) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is [(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate.

Molecular Properties

Compound Name[(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate
PubChem CID155647482
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name[(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate
SMILESC[C@H](CCO)OC(=O)C[C@@H](C)O
InChIInChI=1S/C8H16O4/c1-6(10)5-8(11)12-7(2)3-4-9/h6-7,9-10H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyQYYWATKDAYJXOR-RNFRBKRXSA-N
XLogP0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxybutanoic acid;(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoic acid
CID 87100792
3-[3-[3-[3-(3-hydroxybutanoyloxy)butanoyloxy]butanoyloxy]butanoyloxy]butanoic acid
CID 162966138
1-hydroxybutyl 3-hydroxybutanoate
CID 22612981
4-hydroxybutan-2-yl octadecanoate
CID 71324433
3-O-(1,3-dihydroxypropyl) 1-O-pentan-2-yl propanedioate
CID 175603120
bis(6-hydroxyhexan-2-yl) hexanedioate
CID 57127239
(2-methyl-5-oxohexan-3-yl) 3-hydroxybutanoate
CID 20591063
5-hydroxyhexan-2-yl 3-octyltridecanoate
CID 87784923
octan-2-yl 3-aminobutanoate
CID 61302109
10-hydroxydecan-2-yl propanoate
CID 123501061
[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] 3-hydroxybutanoate
CID 166926018
4-[2-hydroxy-3-[(3R)-3-[(3R)-3-hydroxybutanoyl]oxybutanoyl]oxypropoxy]-4-oxobutanoic acid
CID 130381458

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate?
The IUPAC name of [(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate (CID 155647482) is [(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate.
What is the SMILES notation for [(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate?
The canonical SMILES for [(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate is C[C@H](CCO)OC(=O)C[C@@H](C)O.
What is the InChIKey of [(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate?
The InChIKey is QYYWATKDAYJXOR-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16O4/c1-6(10)5-8(11)12-7(2)3-4-9/h6-7,9-10H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of [(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate?
[(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate has a molecular weight of 176.21 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-hydroxybutan-2-yl] (3R)-3-hydroxybutanoate is sourced from PubChem (CID 155647482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).