ethyl 2-(2,3-dihydroxypropyl)hexanoate

C11H22O4 — CID 67260046

IUPACethyl 2-(2,3-dihydroxypropyl)hexanoate
SMILESCCCCC(CC(O)CO)C(=O)OCC
InChIInChI=1S/C11H22O4/c1-3-5-6-9(7-10(13)8-12)11(14)15-4-2/h9-10,12-13H,3-8H2,1-2H3
InChIKeyYSFYUUNJDBRKDC-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.10
Rot. Bonds8

About ethyl 2-(2,3-dihydroxypropyl)hexanoate

ethyl 2-(2,3-dihydroxypropyl)hexanoate (PubChem CID 67260046) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydroxypropyl)hexanoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydroxypropyl)hexanoate
PubChem CID67260046
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Nameethyl 2-(2,3-dihydroxypropyl)hexanoate
SMILESCCCCC(CC(O)CO)C(=O)OCC
InChIInChI=1S/C11H22O4/c1-3-5-6-9(7-10(13)8-12)11(14)15-4-2/h9-10,12-13H,3-8H2,1-2H3
InChIKeyYSFYUUNJDBRKDC-UHFFFAOYSA-N
XLogP1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2,3-dihydroxypropyl)hexanoate 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

acetyl 2-(2,3-dihydroxypropyl)octadecanoate
CID 91328519
ethyl 2-(trimethylsilylmethyl)hexanoate
CID 10014095
(2-dodecanoyloxy-3-hydroxypropyl) 2-(2,3-dihydroxypropyl)octadecanoate
CID 87073142
2,3-dihydroxypropyl 2-octylpentatriacontanoate
CID 174634384
2,3-dihydroxypropyl 2-hexadecylicosanoate
CID 175104838
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
ethyl 2-(2-bromoethyl)hexanoate
CID 19911410
2,3-dihydroxypropyl 2-ethyldodecanoate
CID 175496101
ethyl 2-(3-hydroxypropyl)octanoate
CID 57193425
4-(2,3-dihydroxypropyl)-2-hexadecyl-3-oxooctadecanoic acid
CID 87446564

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydroxypropyl)hexanoate?
The IUPAC name of ethyl 2-(2,3-dihydroxypropyl)hexanoate (CID 67260046) is ethyl 2-(2,3-dihydroxypropyl)hexanoate.
What is the SMILES notation for ethyl 2-(2,3-dihydroxypropyl)hexanoate?
The canonical SMILES for ethyl 2-(2,3-dihydroxypropyl)hexanoate is CCCCC(CC(O)CO)C(=O)OCC.
What is the InChIKey of ethyl 2-(2,3-dihydroxypropyl)hexanoate?
The InChIKey is YSFYUUNJDBRKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-5-6-9(7-10(13)8-12)11(14)15-4-2/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(2,3-dihydroxypropyl)hexanoate?
ethyl 2-(2,3-dihydroxypropyl)hexanoate has a molecular weight of 218.29 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydroxypropyl)hexanoate is sourced from PubChem (CID 67260046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).