2-hydroxypropyl 2-ethylhexanoate

C11H22O3 — CID 23497921

IUPAC2-hydroxypropyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCC(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
InChIKeyRCYYLBZELJCFBT-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.13
Rot. Bonds7

About 2-hydroxypropyl 2-ethylhexanoate

2-hydroxypropyl 2-ethylhexanoate (PubChem CID 23497921) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-hydroxypropyl 2-ethylhexanoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-ethylhexanoate
PubChem CID23497921
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-hydroxypropyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCC(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
InChIKeyRCYYLBZELJCFBT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-ethylhexanoate?
The IUPAC name of 2-hydroxypropyl 2-ethylhexanoate (CID 23497921) is 2-hydroxypropyl 2-ethylhexanoate.
What is the SMILES notation for 2-hydroxypropyl 2-ethylhexanoate?
The canonical SMILES for 2-hydroxypropyl 2-ethylhexanoate is CCCCC(CC)C(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl 2-ethylhexanoate?
The InChIKey is RCYYLBZELJCFBT-UHFFFAOYSA-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.
What are the key properties of 2-hydroxypropyl 2-ethylhexanoate?
2-hydroxypropyl 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 2-hydroxypropyl 2-ethylhexanoate is sourced from PubChem (CID 23497921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).