ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate

C16H24O3 — CID 102079184

IUPACethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)C(O)(CC)CC
InChIInChI=1S/C16H24O3/c1-4-16(18,5-2)14(15(17)19-6-3)12-13-10-8-7-9-11-13/h7-11,14,18H,4-6,12H2,1-3H3/t14-/m0/s1
InChIKeyOPLYJQZLDPYZHR-AWEZNQCLSA-N
MW264.37 g/mol
LogP2.96
Rot. Bonds7

About ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate

ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate (PubChem CID 102079184) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate
PubChem CID102079184
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Nameethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)C(O)(CC)CC
InChIInChI=1S/C16H24O3/c1-4-16(18,5-2)14(15(17)19-6-3)12-13-10-8-7-9-11-13/h7-11,14,18H,4-6,12H2,1-3H3/t14-/m0/s1
InChIKeyOPLYJQZLDPYZHR-AWEZNQCLSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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diethyl (3S)-2-benzyl-3-hydroxybutanedioate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate?
The IUPAC name of ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate (CID 102079184) is ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate.
What is the SMILES notation for ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate?
The canonical SMILES for ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate is CCOC(=O)[C@H](Cc1ccccc1)C(O)(CC)CC.
What is the InChIKey of ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate?
The InChIKey is OPLYJQZLDPYZHR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-16(18,5-2)14(15(17)19-6-3)12-13-10-8-7-9-11-13/h7-11,14,18H,4-6,12H2,1-3H3/t14-/m0/s1.
What are the key properties of ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate?
ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate has a molecular weight of 264.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate is sourced from PubChem (CID 102079184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).