(2S)-2-ethyl-2-methylpentanoate

C8H15O2- — CID 86306121

IUPAC(2S)-2-ethyl-2-methylpentanoate
SMILESCCC[C@](C)(CC)C(=O)[O-]
InChIInChI=1S/C8H16O2/c1-4-6-8(3,5-2)7(9)10/h4-6H2,1-3H3,(H,9,10)/p-1/t8-/m0/s1
InChIKeyWUWPVNVBYOKSSZ-QMMMGPOBSA-M
MW143.21 g/mol
LogP0.95
Rot. Bonds4

About (2S)-2-ethyl-2-methylpentanoate

(2S)-2-ethyl-2-methylpentanoate (PubChem CID 86306121) has the molecular formula C8H15O2- and a molecular weight of 143.21 g/mol. Its IUPAC name is (2S)-2-ethyl-2-methylpentanoate.

Molecular Properties

Compound Name(2S)-2-ethyl-2-methylpentanoate
PubChem CID86306121
Molecular FormulaC8H15O2-
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name(2S)-2-ethyl-2-methylpentanoate
SMILESCCC[C@](C)(CC)C(=O)[O-]
InChIInChI=1S/C8H16O2/c1-4-6-8(3,5-2)7(9)10/h4-6H2,1-3H3,(H,9,10)/p-1/t8-/m0/s1
InChIKeyWUWPVNVBYOKSSZ-QMMMGPOBSA-M
XLogP0.95
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-ethyl-2-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-ethyl-2-methylhexanoate
CID 86308625
bis(2-ethyl-2-methylheptanoate);manganese(2+)
CID 138394983
silver 2-methyl-2-propylhexanoate
CID 175204967
cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)
CID 22833328
2-ethyl-2-methylpentanamide
CID 22376566
2,2-dimethyloctanoate;bis(2-ethyl-2-methylheptanoate);samarium(3+)
CID 102059876
silver 2,2-dimethylpentanoate
CID 121375132
2-hexyl-2-methylpentadecanoate
CID 57350898
butyl 2,2-dimethylbutanoate;2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium;2-ethyl-2-methylpentanoate
CID 159475800
2-ethyl-2-hydroxypentanoate
CID 18183072
lithium;potassium;2-tert-butyl-2-propylpropanedioate
CID 139411179
lithium;sodium;2,2-dipropylpropanedioate
CID 139411996

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-methylpentanoate?
The IUPAC name of (2S)-2-ethyl-2-methylpentanoate (CID 86306121) is (2S)-2-ethyl-2-methylpentanoate.
What is the SMILES notation for (2S)-2-ethyl-2-methylpentanoate?
The canonical SMILES for (2S)-2-ethyl-2-methylpentanoate is CCC[C@](C)(CC)C(=O)[O-].
What is the InChIKey of (2S)-2-ethyl-2-methylpentanoate?
The InChIKey is WUWPVNVBYOKSSZ-QMMMGPOBSA-M. The full InChI is InChI=1S/C8H16O2/c1-4-6-8(3,5-2)7(9)10/h4-6H2,1-3H3,(H,9,10)/p-1/t8-/m0/s1.
What are the key properties of (2S)-2-ethyl-2-methylpentanoate?
(2S)-2-ethyl-2-methylpentanoate has a molecular weight of 143.21 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-methylpentanoate is sourced from PubChem (CID 86306121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).