[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate

C11H22O3 — CID 93482323

IUPAC[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate
SMILESCCCC[C@@H](CC)C(=O)OC[C@@H](C)O
InChIInChI=1S/C11H22O3/c1-4-6-7-10(5-2)11(13)14-8-9(3)12/h9-10,12H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyRCYYLBZELJCFBT-NXEZZACHSA-N
MW202.29 g/mol
LogP2.13
Rot. Bonds7

About [(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate

[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate (PubChem CID 93482323) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is [(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate.

Molecular Properties

Compound Name[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate
PubChem CID93482323
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate
SMILESCCCC[C@@H](CC)C(=O)OC[C@@H](C)O
InChIInChI=1S/C11H22O3/c1-4-6-7-10(5-2)11(13)14-8-9(3)12/h9-10,12H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyRCYYLBZELJCFBT-NXEZZACHSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
alumane;2-methylpropyl 2-ethylhexanoate
CID 174410098
[5-(2-ethylhexanoyloxy)-2,4-dimethylpentyl] 2-ethylhexanoate
CID 139749095
1-hydroxyethyl 2-ethylhexanoate
CID 22112693
2-methylpropyl 2-ethylnonanoate
CID 175297252
[2-[(2R)-2-ethylhexanoyl]oxy-3-[(2S)-2-ethylhexanoyl]oxypropyl] (2R)-2-ethylhexanoate
CID 73416086
2-heptylundecyl 2-ethylhexanoate
CID 88536856
2-pentylundecyl 2-ethylhexanoate
CID 11462797
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
9-(2-hydroxypropoxycarbonyl)heptadecanoic acid
CID 18354793
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate?
The IUPAC name of [(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate (CID 93482323) is [(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate.
What is the SMILES notation for [(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate?
The canonical SMILES for [(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate is CCCC[C@@H](CC)C(=O)OC[C@@H](C)O.
What is the InChIKey of [(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate?
The InChIKey is RCYYLBZELJCFBT-NXEZZACHSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-6-7-10(5-2)11(13)14-8-9(3)12/h9-10,12H,4-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of [(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate?
[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate has a molecular weight of 202.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate is sourced from PubChem (CID 93482323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).