2-methoxyethyl 3-ethyl-3-methylpentanoate

C11H22O3 — CID 142740041

IUPAC2-methoxyethyl 3-ethyl-3-methylpentanoate
SMILESCCC(C)(CC)CC(=O)OCCOC
InChIInChI=1S/C11H22O3/c1-5-11(3,6-2)9-10(12)14-8-7-13-4/h5-9H2,1-4H3
InChIKeyGLLVVBSPPZQBLH-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds7

About 2-methoxyethyl 3-ethyl-3-methylpentanoate

2-methoxyethyl 3-ethyl-3-methylpentanoate (PubChem CID 142740041) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-methoxyethyl 3-ethyl-3-methylpentanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-ethyl-3-methylpentanoate
PubChem CID142740041
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-methoxyethyl 3-ethyl-3-methylpentanoate
SMILESCCC(C)(CC)CC(=O)OCCOC
InChIInChI=1S/C11H22O3/c1-5-11(3,6-2)9-10(12)14-8-7-13-4/h5-9H2,1-4H3
InChIKeyGLLVVBSPPZQBLH-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
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-(3-tert-butyl-3,4,4-trimethylpentanoyl)oxyethyl 3-tert-butyl-3,4,4-trimethylpentanoate
CID 90137653
tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 2-hydroxypropane-1,2,3-tricarboxylate
CID 139400465
ethyl 3-hydroxy-5-methoxy-3-methylpentanoate
CID 62393447
propyl 3-methoxy-3-methylbutanoate
CID 103021036
3-methoxypropyl 3,3,3-trifluoropropanoate
CID 88537757
2,2-bis[2-(2-methoxyethoxy)-2-oxoethyl]-3-methylidenebutanedioic acid
CID 22289515
2-methoxyethyl 3,3,3-trifluoropropanoate;3,3,3-trifluoropropanal
CID 144841967
5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid
CID 135339214
dipropyl 2-ethyl-2-methylbutanedioate
CID 57222519
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
2-methoxyethyl 3,5,5-trimethylhexanoate
CID 91693891
2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate
CID 142740056

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-ethyl-3-methylpentanoate?
The IUPAC name of 2-methoxyethyl 3-ethyl-3-methylpentanoate (CID 142740041) is 2-methoxyethyl 3-ethyl-3-methylpentanoate.
What is the SMILES notation for 2-methoxyethyl 3-ethyl-3-methylpentanoate?
The canonical SMILES for 2-methoxyethyl 3-ethyl-3-methylpentanoate is CCC(C)(CC)CC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 3-ethyl-3-methylpentanoate?
The InChIKey is GLLVVBSPPZQBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-11(3,6-2)9-10(12)14-8-7-13-4/h5-9H2,1-4H3.
What are the key properties of 2-methoxyethyl 3-ethyl-3-methylpentanoate?
2-methoxyethyl 3-ethyl-3-methylpentanoate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-ethyl-3-methylpentanoate is sourced from PubChem (CID 142740041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).