1-hydroxyethyl decanoate

C12H24O3 — CID 176884014

IUPAC1-hydroxyethyl decanoate
SMILESCCCCCCCCCC(=O)OC(C)O
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-10-12(14)15-11(2)13/h11,13H,3-10H2,1-2H3
InChIKeyHMYASZBSLSIPKQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.01
Rot. Bonds9

About 1-hydroxyethyl decanoate

1-hydroxyethyl decanoate (PubChem CID 176884014) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-hydroxyethyl decanoate.

Molecular Properties

Compound Name1-hydroxyethyl decanoate
PubChem CID176884014
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name1-hydroxyethyl decanoate
SMILESCCCCCCCCCC(=O)OC(C)O
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-10-12(14)15-11(2)13/h11,13H,3-10H2,1-2H3
InChIKeyHMYASZBSLSIPKQ-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-hydroxyethyl decanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxyethyl hexadecanoate
CID 87454687
1,1-dihydroxypropan-2-yl octadecanoate
CID 130277700
propan-2-yl undecanoate
CID 3016538
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
dihydroxymethyl nonanoate
CID 118275765
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
azane;dihydroxymethyl octadecanoate
CID 174373244
CID 165051980
CID 165051980
nonan-5-yl octanoate
CID 175395766
3-methylbutan-2-yl icosanoate
CID 58052123
1-aminoethyl decanoate
CID 87547112
4-hexadecanoyloxypentan-2-yl octadecanoate
CID 86056824

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl decanoate?
The IUPAC name of 1-hydroxyethyl decanoate (CID 176884014) is 1-hydroxyethyl decanoate.
What is the SMILES notation for 1-hydroxyethyl decanoate?
The canonical SMILES for 1-hydroxyethyl decanoate is CCCCCCCCCC(=O)OC(C)O.
What is the InChIKey of 1-hydroxyethyl decanoate?
The InChIKey is HMYASZBSLSIPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-10-12(14)15-11(2)13/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-hydroxyethyl decanoate?
1-hydroxyethyl decanoate has a molecular weight of 216.32 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl decanoate is sourced from PubChem (CID 176884014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).