ethyl 2-ethyl-2-(hydroxymethyl)pentanoate

C10H20O3 — CID 134918854

IUPACethyl 2-ethyl-2-(hydroxymethyl)pentanoate
SMILESCCCC(CC)(CO)C(=O)OCC
InChIInChI=1S/C10H20O3/c1-4-7-10(5-2,8-11)9(12)13-6-3/h11H,4-8H2,1-3H3
InChIKeyQYQCVUHRAXCHBL-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.74
Rot. Bonds6

About ethyl 2-ethyl-2-(hydroxymethyl)pentanoate

ethyl 2-ethyl-2-(hydroxymethyl)pentanoate (PubChem CID 134918854) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl 2-ethyl-2-(hydroxymethyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-(hydroxymethyl)pentanoate
PubChem CID134918854
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameethyl 2-ethyl-2-(hydroxymethyl)pentanoate
SMILESCCCC(CC)(CO)C(=O)OCC
InChIInChI=1S/C10H20O3/c1-4-7-10(5-2,8-11)9(12)13-6-3/h11H,4-8H2,1-3H3
InChIKeyQYQCVUHRAXCHBL-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-bis(sulfanylmethyl)butanoate
CID 87450503
silyl 2-ethyl-2-propylpentanoate
CID 173274588
ethyl 2-[(ethyldisulfanyl)methoxymethyl]-2-(hydroxymethyl)butanoate
CID 135248948
ethyl 2-heptyl-2-undecyltetradecanoate
CID 175402901
diethyl 2,2-diethylhexanedioate
CID 138680184
ethyl 4-cyano-2,2-diethylbutanoate
CID 88821500
heptadecyl 2,2-bis(hydroxymethyl)butanoate
CID 90164651
2-ethyl-2-propylpentanamide
CID 10352144
ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate
CID 106488221
azane;propyl 2,2-dipropylpentanoate
CID 87112478
ethyl 2-fluoro-2-methylpentanoate
CID 157367290
6-[6-ethoxy-5,5-bis(hydroxymethyl)-6-oxohexoxy]-2,2-bis(hydroxymethyl)hexanoic acid
CID 141083457

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-(hydroxymethyl)pentanoate?
The IUPAC name of ethyl 2-ethyl-2-(hydroxymethyl)pentanoate (CID 134918854) is ethyl 2-ethyl-2-(hydroxymethyl)pentanoate.
What is the SMILES notation for ethyl 2-ethyl-2-(hydroxymethyl)pentanoate?
The canonical SMILES for ethyl 2-ethyl-2-(hydroxymethyl)pentanoate is CCCC(CC)(CO)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-2-(hydroxymethyl)pentanoate?
The InChIKey is QYQCVUHRAXCHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-7-10(5-2,8-11)9(12)13-6-3/h11H,4-8H2,1-3H3.
What are the key properties of ethyl 2-ethyl-2-(hydroxymethyl)pentanoate?
ethyl 2-ethyl-2-(hydroxymethyl)pentanoate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-(hydroxymethyl)pentanoate is sourced from PubChem (CID 134918854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).