ethyl 2-(2-propan-2-yloxyethoxy)acetate

C9H18O4 — CID 43119673

IUPACethyl 2-(2-propan-2-yloxyethoxy)acetate
SMILESCCOC(=O)COCCOC(C)C
InChIInChI=1S/C9H18O4/c1-4-12-9(10)7-11-5-6-13-8(2)3/h8H,4-7H2,1-3H3
InChIKeyRYEYAMBDDIXLRS-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.99
Rot. Bonds7

About ethyl 2-(2-propan-2-yloxyethoxy)acetate

ethyl 2-(2-propan-2-yloxyethoxy)acetate (PubChem CID 43119673) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethyl 2-(2-propan-2-yloxyethoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propan-2-yloxyethoxy)acetate
PubChem CID43119673
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Nameethyl 2-(2-propan-2-yloxyethoxy)acetate
SMILESCCOC(=O)COCCOC(C)C
InChIInChI=1S/C9H18O4/c1-4-12-9(10)7-11-5-6-13-8(2)3/h8H,4-7H2,1-3H3
InChIKeyRYEYAMBDDIXLRS-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.99
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

ethyl 2-propan-2-yloxyacetate
CID 537908
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 4-propan-2-yloxybutanoate
CID 59323565
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
N,N-dimethyl-2-(2-propan-2-yloxyethoxy)acetamide
CID 172604090
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
ethyl 2-butoxyacetate
CID 14419651
3-methyl-1-[2-(3-methyl-2-oxobutoxy)ethoxy]butan-2-one;2-(2-propan-2-yloxyethoxy)propane
CID 163475456
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
CID 63038922

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propan-2-yloxyethoxy)acetate?
The IUPAC name of ethyl 2-(2-propan-2-yloxyethoxy)acetate (CID 43119673) is ethyl 2-(2-propan-2-yloxyethoxy)acetate.
What is the SMILES notation for ethyl 2-(2-propan-2-yloxyethoxy)acetate?
The canonical SMILES for ethyl 2-(2-propan-2-yloxyethoxy)acetate is CCOC(=O)COCCOC(C)C.
What is the InChIKey of ethyl 2-(2-propan-2-yloxyethoxy)acetate?
The InChIKey is RYEYAMBDDIXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-12-9(10)7-11-5-6-13-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(2-propan-2-yloxyethoxy)acetate?
ethyl 2-(2-propan-2-yloxyethoxy)acetate has a molecular weight of 190.24 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propan-2-yloxyethoxy)acetate is sourced from PubChem (CID 43119673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).