ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate

C12H24O3 — CID 23297176

IUPACethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate
SMILESCCOC(=O)C(COC)(C(C)C)C(C)C
InChIInChI=1S/C12H24O3/c1-7-15-11(13)12(8-14-6,9(2)3)10(4)5/h9-10H,7-8H2,1-6H3
InChIKeyDKOMPDYMUNJDMC-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.49
Rot. Bonds6

About ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate

ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate (PubChem CID 23297176) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate.

Molecular Properties

Compound Nameethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate
PubChem CID23297176
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nameethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate
SMILESCCOC(=O)C(COC)(C(C)C)C(C)C
InChIInChI=1S/C12H24O3/c1-7-15-11(13)12(8-14-6,9(2)3)10(4)5/h9-10H,7-8H2,1-6H3
InChIKeyDKOMPDYMUNJDMC-UHFFFAOYSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521
ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate
CID 166814608
ethyl 3-hydroxy-2,2-dimethoxybutanoate
CID 88708132
ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate
CID 106488843
diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
ethyl 2-(methoxymethyl)-2-methyl-3-oxobutanoate
CID 6420389
propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate
CID 139783243
ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate
CID 10846253
1-O-acetyl 3-O-ethyl 2-ethyl-2-propan-2-ylpropanedioate
CID 118967839
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
diethyl 2-(2-ethylbutyl)-2-propan-2-ylpropanedioate
CID 103972944
diethyl 2-(2-hydroxyethyl)-2-propan-2-ylpropanedioate
CID 103972920

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate?
The IUPAC name of ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate (CID 23297176) is ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate.
What is the SMILES notation for ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate?
The canonical SMILES for ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate is CCOC(=O)C(COC)(C(C)C)C(C)C.
What is the InChIKey of ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate?
The InChIKey is DKOMPDYMUNJDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-7-15-11(13)12(8-14-6,9(2)3)10(4)5/h9-10H,7-8H2,1-6H3.
What are the key properties of ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate?
ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate has a molecular weight of 216.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate is sourced from PubChem (CID 23297176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).