propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate

C12H24O3 — CID 139783105

IUPACpropan-2-yl 2-(ethoxymethyl)-3-methylpentanoate
SMILESCCOCC(C(=O)OC(C)C)C(C)CC
InChIInChI=1S/C12H24O3/c1-6-10(5)11(8-14-7-2)12(13)15-9(3)4/h9-11H,6-8H2,1-5H3
InChIKeyRRRQQBMMMXECBR-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.64
Rot. Bonds7

About propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate

propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate (PubChem CID 139783105) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(ethoxymethyl)-3-methylpentanoate
PubChem CID139783105
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namepropan-2-yl 2-(ethoxymethyl)-3-methylpentanoate
SMILESCCOCC(C(=O)OC(C)C)C(C)CC
InChIInChI=1S/C12H24O3/c1-6-10(5)11(8-14-7-2)12(13)15-9(3)4/h9-11H,6-8H2,1-5H3
InChIKeyRRRQQBMMMXECBR-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl (3R)-2-hydroxy-3-methylpentanoate
CID 174795059
(1-chloro-2-oxo-2-propan-2-yloxyethyl)-(ethoxymethyl)-oxophosphanium
CID 23338801
propan-2-yl 2-chloro-2-di(butan-2-yloxy)phosphorylacetate
CID 88798644
ethyl 2,3-dimethylpentanoate
CID 55255239
2-(1-ethoxypropan-2-yl)pentanoic acid
CID 172824174
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
propan-2-yl 2-propan-2-yldecanoate
CID 175067066
propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103
propan-2-yl 2-cyanobutanoate
CID 14919504
propan-2-yl 2-[methyl(propanoyl)amino]propanoate
CID 134504961
propan-2-yl (2R)-2-ethylbut-3-enoate
CID 101242272
1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate
CID 103488952

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate?
The IUPAC name of propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate (CID 139783105) is propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate.
What is the SMILES notation for propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate?
The canonical SMILES for propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate is CCOCC(C(=O)OC(C)C)C(C)CC.
What is the InChIKey of propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate?
The InChIKey is RRRQQBMMMXECBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-10(5)11(8-14-7-2)12(13)15-9(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate?
propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate has a molecular weight of 216.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate is sourced from PubChem (CID 139783105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).