2-(2-methylpropoxy)ethyl acetate

C8H16O3 — CID 520944

IUPAC2-(2-methylpropoxy)ethyl acetate
SMILESCC(=O)OCCOCC(C)C
InChIInChI=1S/C8H16O3/c1-7(2)6-10-4-5-11-8(3)9/h7H,4-6H2,1-3H3
InChIKeyADWVSLCVBOTERL-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.22
Rot. Bonds5

About 2-(2-methylpropoxy)ethyl acetate

2-(2-methylpropoxy)ethyl acetate (PubChem CID 520944) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl acetate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl acetate
PubChem CID520944
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(2-methylpropoxy)ethyl acetate
SMILESCC(=O)OCCOCC(C)C
InChIInChI=1S/C8H16O3/c1-7(2)6-10-4-5-11-8(3)9/h7H,4-6H2,1-3H3
InChIKeyADWVSLCVBOTERL-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.22
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-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
2-(2-methylpropoxy)ethyl 2-methylbut-2-enoate
CID 174686626
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
2-methylpropyl acetate;hydrate
CID 86585368
2-(2-methylpropoxy)ethyl (2S)-3-amino-2-hydroxypropanoate
CID 107837701
2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate
CID 106448215
2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate
CID 107837699
2-[2-(2-acetyloxyethoxy)-3-hydroxypropoxy]ethyl acetate
CID 176616060
2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate
CID 176791214
2-(2-methylpropoxy)ethyl 3-aminopentanoate
CID 106448091
2-(2-methylpropoxy)ethyl 3-amino-3-methylbutanoate
CID 106448152

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl acetate?
The IUPAC name of 2-(2-methylpropoxy)ethyl acetate (CID 520944) is 2-(2-methylpropoxy)ethyl acetate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl acetate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl acetate is CC(=O)OCCOCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)ethyl acetate?
The InChIKey is ADWVSLCVBOTERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(2)6-10-4-5-11-8(3)9/h7H,4-6H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)ethyl acetate?
2-(2-methylpropoxy)ethyl acetate has a molecular weight of 160.21 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl acetate is sourced from PubChem (CID 520944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).