propan-2-yl 4-(2-ethoxyethoxy)butanoate

C11H22O4 — CID 121470224

IUPACpropan-2-yl 4-(2-ethoxyethoxy)butanoate
SMILESCCOCCOCCCC(=O)OC(C)C
InChIInChI=1S/C11H22O4/c1-4-13-8-9-14-7-5-6-11(12)15-10(2)3/h10H,4-9H2,1-3H3
InChIKeyJIUXIZRDRGFMEA-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.77
Rot. Bonds9

About propan-2-yl 4-(2-ethoxyethoxy)butanoate

propan-2-yl 4-(2-ethoxyethoxy)butanoate (PubChem CID 121470224) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is propan-2-yl 4-(2-ethoxyethoxy)butanoate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-ethoxyethoxy)butanoate
PubChem CID121470224
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Namepropan-2-yl 4-(2-ethoxyethoxy)butanoate
SMILESCCOCCOCCCC(=O)OC(C)C
InChIInChI=1S/C11H22O4/c1-4-13-8-9-14-7-5-6-11(12)15-10(2)3/h10H,4-9H2,1-3H3
InChIKeyJIUXIZRDRGFMEA-UHFFFAOYSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 4-(2-dodecoxyethoxy)butanoate
CID 121469783
propan-2-yl 4-[2-(2-hexoxyethoxy)ethoxy]butanoate
CID 121469801
propan-2-yl 4-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butanoate
CID 121469653
propan-2-yl 5-propoxypentanoate
CID 134561604
6-methylheptan-2-yl 4-ethoxybutanoate
CID 134561656
pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate
CID 121470119
propan-2-yl undecanoate
CID 3016538
propanoyl 4-ethoxybutanoate
CID 174267345
heptan-2-yl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470189
heptan-2-yl 4-[2-(2-heptoxyethoxy)ethoxy]butanoate
CID 121470234
octan-2-yl 4-(2-nonoxyethoxy)butanoate
CID 121469741
heptan-2-yl 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469872

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-ethoxyethoxy)butanoate?
The IUPAC name of propan-2-yl 4-(2-ethoxyethoxy)butanoate (CID 121470224) is propan-2-yl 4-(2-ethoxyethoxy)butanoate.
What is the SMILES notation for propan-2-yl 4-(2-ethoxyethoxy)butanoate?
The canonical SMILES for propan-2-yl 4-(2-ethoxyethoxy)butanoate is CCOCCOCCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-(2-ethoxyethoxy)butanoate?
The InChIKey is JIUXIZRDRGFMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-13-8-9-14-7-5-6-11(12)15-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of propan-2-yl 4-(2-ethoxyethoxy)butanoate?
propan-2-yl 4-(2-ethoxyethoxy)butanoate has a molecular weight of 218.29 g/mol, XLogP of 1.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2-ethoxyethoxy)butanoate is sourced from PubChem (CID 121470224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).