(5R)-5-acetyloxyhexanoic acid

C8H14O4 — CID 87649956

IUPAC(5R)-5-acetyloxyhexanoic acid
SMILESCC(=O)O[C@H](C)CCCC(=O)O
InChIInChI=1S/C8H14O4/c1-6(12-7(2)9)4-3-5-8(10)11/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyOGTFPNUUYVXZCH-ZCFIWIBFSA-N
MW174.20 g/mol
LogP1.19
Rot. Bonds5

About (5R)-5-acetyloxyhexanoic acid

(5R)-5-acetyloxyhexanoic acid (PubChem CID 87649956) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (5R)-5-acetyloxyhexanoic acid.

Molecular Properties

Compound Name(5R)-5-acetyloxyhexanoic acid
PubChem CID87649956
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(5R)-5-acetyloxyhexanoic acid
SMILESCC(=O)O[C@H](C)CCCC(=O)O
InChIInChI=1S/C8H14O4/c1-6(12-7(2)9)4-3-5-8(10)11/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyOGTFPNUUYVXZCH-ZCFIWIBFSA-N
XLogP1.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-acetyloxyoctanoic acid
CID 14119881
4-acetyloxypentanoic acid
CID 14737198
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
ethyl 5-acetyloxyhexanoate
CID 529299
6-hydroxyhexan-2-yl acetate
CID 15812148
hexan-2-yl acetate;methane
CID 159910641
pentacosan-2-yl acetate
CID 173416941
[(2R)-6-bromohexan-2-yl] acetate
CID 12619445
5-pentadecanoyloxyhexanoic acid
CID 138134299
1-methoxypropan-2-yl acetate;pentanoic acid
CID 175986355
5-trihydroxysilylpentan-2-yl acetate
CID 90797840
(8-methyl-7-oxonon-8-en-2-yl) acetate
CID 118877704

Frequently Asked Questions

What is the IUPAC name of (5R)-5-acetyloxyhexanoic acid?
The IUPAC name of (5R)-5-acetyloxyhexanoic acid (CID 87649956) is (5R)-5-acetyloxyhexanoic acid.
What is the SMILES notation for (5R)-5-acetyloxyhexanoic acid?
The canonical SMILES for (5R)-5-acetyloxyhexanoic acid is CC(=O)O[C@H](C)CCCC(=O)O.
What is the InChIKey of (5R)-5-acetyloxyhexanoic acid?
The InChIKey is OGTFPNUUYVXZCH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(12-7(2)9)4-3-5-8(10)11/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (5R)-5-acetyloxyhexanoic acid?
(5R)-5-acetyloxyhexanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-acetyloxyhexanoic acid is sourced from PubChem (CID 87649956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).