ethyl (2R)-2-hydroxypentanoate

C7H14O3 — CID 10975628

IUPACethyl (2R)-2-hydroxypentanoate
SMILESCCC[C@@H](O)C(=O)OCC
InChIInChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyMQGTZMCASHTGBJ-ZCFIWIBFSA-N
MW146.19 g/mol
LogP0.71
Rot. Bonds4

About ethyl (2R)-2-hydroxypentanoate

ethyl (2R)-2-hydroxypentanoate (PubChem CID 10975628) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxypentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxypentanoate
PubChem CID10975628
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nameethyl (2R)-2-hydroxypentanoate
SMILESCCC[C@@H](O)C(=O)OCC
InChIInChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyMQGTZMCASHTGBJ-ZCFIWIBFSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butyl Lactate
CID 8738
Butyl lactate, (S)-
CID 6999977
Methyl 2-hydroxy-4-methylpentanoate
CID 62908
Amyl lactate
CID 101145
2-Hydroxyhexanoic acid
CID 99824
Ethyl 2-hydroxy-3-methylvalerate
CID 13026600
(+-)-2-Hydroxypentanoic acid
CID 98009
Ethyl 2-hydroxy-3-methylbutanoate
CID 520125
Hexanoic acid, 2-hydroxy-, ethyl ester
CID 103589
Methyl 2-hydroxybutanoate
CID 520445
(R)-ethyl 2-hydroxybutanoate
CID 521365
Ethyl 2-hydroxy-4-methylpentanoate
CID 112030

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxypentanoate?
The IUPAC name of ethyl (2R)-2-hydroxypentanoate (CID 10975628) is ethyl (2R)-2-hydroxypentanoate.
What is the SMILES notation for ethyl (2R)-2-hydroxypentanoate?
The canonical SMILES for ethyl (2R)-2-hydroxypentanoate is CCC[C@@H](O)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-hydroxypentanoate?
The InChIKey is MQGTZMCASHTGBJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxypentanoate?
ethyl (2R)-2-hydroxypentanoate has a molecular weight of 146.19 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxypentanoate is sourced from PubChem (CID 10975628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).