2-ethyl-2-hydroxypentanoate

C7H13O3- — CID 18183072

IUPAC2-ethyl-2-hydroxypentanoate
SMILESCCCC(O)(CC)C(=O)[O-]
InChIInChI=1S/C7H14O3/c1-3-5-7(10,4-2)6(8)9/h10H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyXNWOZRNYOBIXTL-UHFFFAOYSA-M
MW145.18 g/mol
LogP-0.32
Rot. Bonds4

About 2-ethyl-2-hydroxypentanoate

2-ethyl-2-hydroxypentanoate (PubChem CID 18183072) has the molecular formula C7H13O3- and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-ethyl-2-hydroxypentanoate.

Molecular Properties

Compound Name2-ethyl-2-hydroxypentanoate
PubChem CID18183072
Molecular FormulaC7H13O3-
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-ethyl-2-hydroxypentanoate
SMILESCCCC(O)(CC)C(=O)[O-]
InChIInChI=1S/C7H14O3/c1-3-5-7(10,4-2)6(8)9/h10H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyXNWOZRNYOBIXTL-UHFFFAOYSA-M
XLogP-0.32
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-2-hydroxybutanoic acid
CID 77199
1-Hydroxycyclopentanecarboxylic acid
CID 117177
2-Hydroxy-2-methylhexanoic acid
CID 10486992
1-Hydroxycyclobutanecarboxylic acid
CID 10953470
2-Hydroxy-2-methylpentanoic acid
CID 426396
2-Hydroxy-2-propylpentanoic acid
CID 313665
1-Hydroxy-3,3-dimethylcyclobutane-1-carboxylic acid
CID 23461735
1-Hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 54101111
2-Cyclopropyl-2-hydroxypropanoic acid
CID 57468215
Dibutylglycolic acid
CID 12492914
2-Ethyl-2-methoxypentanoic acid
CID 10678538
(2R)-2-hydroxy-2-methylpentanoic acid
CID 14225619

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxypentanoate?
The IUPAC name of 2-ethyl-2-hydroxypentanoate (CID 18183072) is 2-ethyl-2-hydroxypentanoate.
What is the SMILES notation for 2-ethyl-2-hydroxypentanoate?
The canonical SMILES for 2-ethyl-2-hydroxypentanoate is CCCC(O)(CC)C(=O)[O-].
What is the InChIKey of 2-ethyl-2-hydroxypentanoate?
The InChIKey is XNWOZRNYOBIXTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O3/c1-3-5-7(10,4-2)6(8)9/h10H,3-5H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 2-ethyl-2-hydroxypentanoate?
2-ethyl-2-hydroxypentanoate has a molecular weight of 145.18 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxypentanoate is sourced from PubChem (CID 18183072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).