ethyl 7-hydroxy-6-oxooctanoate

C10H18O4 — CID 20826379

IUPACethyl 7-hydroxy-6-oxooctanoate
SMILESCCOC(=O)CCCCC(=O)C(C)O
InChIInChI=1S/C10H18O4/c1-3-14-10(13)7-5-4-6-9(12)8(2)11/h8,11H,3-7H2,1-2H3
InChIKeyRSTNOHKQKGCTBQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.06
Rot. Bonds7

About ethyl 7-hydroxy-6-oxooctanoate

ethyl 7-hydroxy-6-oxooctanoate (PubChem CID 20826379) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 7-hydroxy-6-oxooctanoate.

Molecular Properties

Compound Nameethyl 7-hydroxy-6-oxooctanoate
PubChem CID20826379
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 7-hydroxy-6-oxooctanoate
SMILESCCOC(=O)CCCCC(=O)C(C)O
InChIInChI=1S/C10H18O4/c1-3-14-10(13)7-5-4-6-9(12)8(2)11/h8,11H,3-7H2,1-2H3
InChIKeyRSTNOHKQKGCTBQ-UHFFFAOYSA-N
XLogP1.06
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Glyceryl 1-monooctanoate
CID 3033877
1-Decanoylglycerol
CID 92926
Hydroxycaprylic Acid
CID 94180
Monolaurin
CID 14871
Methyl 12-hydroxystearate
CID 8840
2-Hydroxytetradecanoic acid
CID 1563
2-Hydroxydecanoic Acid
CID 21488
3-Hydroxy-2-octanone
CID 6428543
Hydroxylauric Acid
CID 97783
Ethyl 3-hydroxyoctanoate
CID 110975
Glyceryl Hydroxystearate
CID 102606
Nonanoic acid, 9-hydroxy-, methyl ester
CID 292983

Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-6-oxooctanoate?
The IUPAC name of ethyl 7-hydroxy-6-oxooctanoate (CID 20826379) is ethyl 7-hydroxy-6-oxooctanoate.
What is the SMILES notation for ethyl 7-hydroxy-6-oxooctanoate?
The canonical SMILES for ethyl 7-hydroxy-6-oxooctanoate is CCOC(=O)CCCCC(=O)C(C)O.
What is the InChIKey of ethyl 7-hydroxy-6-oxooctanoate?
The InChIKey is RSTNOHKQKGCTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-14-10(13)7-5-4-6-9(12)8(2)11/h8,11H,3-7H2,1-2H3.
What are the key properties of ethyl 7-hydroxy-6-oxooctanoate?
ethyl 7-hydroxy-6-oxooctanoate has a molecular weight of 202.25 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-6-oxooctanoate is sourced from PubChem (CID 20826379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).