2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate

C12H24O3 — CID 142740056

IUPAC2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate
SMILESCCC(C(=O)OCCOC)C(C)(C)CC
InChIInChI=1S/C12H24O3/c1-6-10(12(3,4)7-2)11(13)15-9-8-14-5/h10H,6-9H2,1-5H3
InChIKeyHDXQBUPKPLDBHI-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.64
Rot. Bonds7

About 2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate

2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate (PubChem CID 142740056) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate
PubChem CID142740056
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate
SMILESCCC(C(=O)OCCOC)C(C)(C)CC
InChIInChI=1S/C12H24O3/c1-6-10(12(3,4)7-2)11(13)15-9-8-14-5/h10H,6-9H2,1-5H3
InChIKeyHDXQBUPKPLDBHI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-ethyl-3,3-dimethylpentanoate
CID 13113712
butyl 3,3-dimethyl-2-propylpentanoate
CID 174689117
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
2-cyanoethyl 2-(2,2-dimethylpropyl)-3,3-dimethylpentanoate
CID 134267923
3-O-[(2-ethyl-3,3-dimethylpentanoyl)oxymethyl] 1-O-(2,2,3,3,3-pentafluoropropyl) propanedioate
CID 89467628
2-methoxyethyl 3-ethyl-3-methylpentanoate
CID 142740041
5-methoxycarbonyl-4,4-dimethylheptanoic acid
CID 142079394
1-O-[2-[4,4-dimethyl-2-(2-methylbutan-2-yl)hexanoyl]oxyethyl] 4-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) butanedioate
CID 89468015
4-O-ethyl 1-O-methyl 3-ethyl-2,2-dimethylbutanedioate
CID 59124916
5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one
CID 116592684
2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid
CID 158949436
pentakis(2-methoxyethyl) 1-methylundecane-1,3,5,7,9-pentacarboxylate
CID 166057614

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate?
The IUPAC name of 2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate (CID 142740056) is 2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate.
What is the SMILES notation for 2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate?
The canonical SMILES for 2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate is CCC(C(=O)OCCOC)C(C)(C)CC.
What is the InChIKey of 2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate?
The InChIKey is HDXQBUPKPLDBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-10(12(3,4)7-2)11(13)15-9-8-14-5/h10H,6-9H2,1-5H3.
What are the key properties of 2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate?
2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate 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 2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate is sourced from PubChem (CID 142740056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).