(6-hydroxy-5-oxononan-4-yl) acetate

C11H20O4 — CID 14791587

IUPAC(6-hydroxy-5-oxononan-4-yl) acetate
SMILESCCCC(O)C(=O)C(CCC)OC(C)=O
InChIInChI=1S/C11H20O4/c1-4-6-9(13)11(14)10(7-5-2)15-8(3)12/h9-10,13H,4-7H2,1-3H3
InChIKeyQUTNMENBXGYVHE-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.45
Rot. Bonds7

About (6-hydroxy-5-oxononan-4-yl) acetate

(6-hydroxy-5-oxononan-4-yl) acetate (PubChem CID 14791587) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (6-hydroxy-5-oxononan-4-yl) acetate.

Molecular Properties

Compound Name(6-hydroxy-5-oxononan-4-yl) acetate
PubChem CID14791587
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(6-hydroxy-5-oxononan-4-yl) acetate
SMILESCCCC(O)C(=O)C(CCC)OC(C)=O
InChIInChI=1S/C11H20O4/c1-4-6-9(13)11(14)10(7-5-2)15-8(3)12/h9-10,13H,4-7H2,1-3H3
InChIKeyQUTNMENBXGYVHE-UHFFFAOYSA-N
XLogP1.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 2-acetyloxypentanoate
CID 141161504
(1,4-dihydroxy-3-oxohenicos-12-en-2-yl) acetate
CID 123549302
(313C)heptan-4-yl acetate
CID 117065532
3-hydroxyhexan-2-one
CID 15525237
(2S)-2-hydroxypentanethioic S-acid
CID 87513804
azane;pentan-2-yl acetate
CID 174372937
1-aminobutyl acetate
CID 22643639
[(3S)-2-oxooctan-3-yl] acetate
CID 134963991
azane;2-hydroxypentanethioic S-acid
CID 173047921
acetyl 3-hydroxy-2-oxohexanoate;alumane
CID 174378337
5-hydroxy-1-methoxy-3-methyloctan-4-one
CID 103454028
(2S)-2-acetyloxydodecanoic acid
CID 90302969

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-5-oxononan-4-yl) acetate?
The IUPAC name of (6-hydroxy-5-oxononan-4-yl) acetate (CID 14791587) is (6-hydroxy-5-oxononan-4-yl) acetate.
What is the SMILES notation for (6-hydroxy-5-oxononan-4-yl) acetate?
The canonical SMILES for (6-hydroxy-5-oxononan-4-yl) acetate is CCCC(O)C(=O)C(CCC)OC(C)=O.
What is the InChIKey of (6-hydroxy-5-oxononan-4-yl) acetate?
The InChIKey is QUTNMENBXGYVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-6-9(13)11(14)10(7-5-2)15-8(3)12/h9-10,13H,4-7H2,1-3H3.
What are the key properties of (6-hydroxy-5-oxononan-4-yl) acetate?
(6-hydroxy-5-oxononan-4-yl) acetate has a molecular weight of 216.28 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-5-oxononan-4-yl) acetate is sourced from PubChem (CID 14791587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).