2-ethoxyethyl 3,4-dimethylpentanoate

C11H22O3 — CID 142740065

IUPAC2-ethoxyethyl 3,4-dimethylpentanoate
SMILESCCOCCOC(=O)CC(C)C(C)C
InChIInChI=1S/C11H22O3/c1-5-13-6-7-14-11(12)8-10(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyAMUIWPGMFCNZAO-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.25
Rot. Bonds7

About 2-ethoxyethyl 3,4-dimethylpentanoate

2-ethoxyethyl 3,4-dimethylpentanoate (PubChem CID 142740065) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-ethoxyethyl 3,4-dimethylpentanoate.

Molecular Properties

Compound Name2-ethoxyethyl 3,4-dimethylpentanoate
PubChem CID142740065
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-ethoxyethyl 3,4-dimethylpentanoate
SMILESCCOCCOC(=O)CC(C)C(C)C
InChIInChI=1S/C11H22O3/c1-5-13-6-7-14-11(12)8-10(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyAMUIWPGMFCNZAO-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
bis[2-(2-ethoxyethoxy)ethyl] 3-propylpentanedioate
CID 101278961
2-ethoxyethyl 2-fluoroacetate
CID 88537895
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CID 22481559
2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
CID 87914074
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3,4-dimethylpentanoate?
The IUPAC name of 2-ethoxyethyl 3,4-dimethylpentanoate (CID 142740065) is 2-ethoxyethyl 3,4-dimethylpentanoate.
What is the SMILES notation for 2-ethoxyethyl 3,4-dimethylpentanoate?
The canonical SMILES for 2-ethoxyethyl 3,4-dimethylpentanoate is CCOCCOC(=O)CC(C)C(C)C.
What is the InChIKey of 2-ethoxyethyl 3,4-dimethylpentanoate?
The InChIKey is AMUIWPGMFCNZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-13-6-7-14-11(12)8-10(4)9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-ethoxyethyl 3,4-dimethylpentanoate?
2-ethoxyethyl 3,4-dimethylpentanoate has a molecular weight of 202.29 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3,4-dimethylpentanoate is sourced from PubChem (CID 142740065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).