2-methoxyethyl 2,4-dimethylpentanoate

C10H20O3 — CID 142740017

IUPAC2-methoxyethyl 2,4-dimethylpentanoate
SMILESCOCCOC(=O)C(C)CC(C)C
InChIInChI=1S/C10H20O3/c1-8(2)7-9(3)10(11)13-6-5-12-4/h8-9H,5-7H2,1-4H3
InChIKeyPXOTZQMLPJRPKN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.86
Rot. Bonds6

About 2-methoxyethyl 2,4-dimethylpentanoate

2-methoxyethyl 2,4-dimethylpentanoate (PubChem CID 142740017) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methoxyethyl 2,4-dimethylpentanoate.

Molecular Properties

Compound Name2-methoxyethyl 2,4-dimethylpentanoate
PubChem CID142740017
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-methoxyethyl 2,4-dimethylpentanoate
SMILESCOCCOC(=O)C(C)CC(C)C
InChIInChI=1S/C10H20O3/c1-8(2)7-9(3)10(11)13-6-5-12-4/h8-9H,5-7H2,1-4H3
InChIKeyPXOTZQMLPJRPKN-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.86
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

2-hydroxyethyl 2,4-dimethylpentanoate
CID 118601483
pentakis(2-methoxyethyl) 1-methylundecane-1,3,5,7,9-pentacarboxylate
CID 166057614
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate
CID 55014263
2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate
CID 118372663
2-methoxyethyl 3-methyl-2-sulfanylbutanoate
CID 107018500
2-methoxyethyl 2-amino-3-hydroxybutanoate
CID 61279925
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
2-(2-methoxyethoxy)ethyl 3-(aminomethyl)-5-methylhexanoate
CID 104563584
2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119188229

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2,4-dimethylpentanoate?
The IUPAC name of 2-methoxyethyl 2,4-dimethylpentanoate (CID 142740017) is 2-methoxyethyl 2,4-dimethylpentanoate.
What is the SMILES notation for 2-methoxyethyl 2,4-dimethylpentanoate?
The canonical SMILES for 2-methoxyethyl 2,4-dimethylpentanoate is COCCOC(=O)C(C)CC(C)C.
What is the InChIKey of 2-methoxyethyl 2,4-dimethylpentanoate?
The InChIKey is PXOTZQMLPJRPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)7-9(3)10(11)13-6-5-12-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methoxyethyl 2,4-dimethylpentanoate?
2-methoxyethyl 2,4-dimethylpentanoate has a molecular weight of 188.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,4-dimethylpentanoate is sourced from PubChem (CID 142740017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).