2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate

C13H26O4 — CID 88970613

IUPAC2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
SMILESCCCCOCCOCCOC(=O)C(C)(C)C
InChIInChI=1S/C13H26O4/c1-5-6-7-15-8-9-16-10-11-17-12(14)13(2,3)4/h5-11H2,1-4H3
InChIKeyJZFJJMFAHLVODE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.41
Rot. Bonds9

About 2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate

2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate (PubChem CID 88970613) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
PubChem CID88970613
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
SMILESCCCCOCCOCCOC(=O)C(C)(C)C
InChIInChI=1S/C13H26O4/c1-5-6-7-15-8-9-16-10-11-17-12(14)13(2,3)4/h5-11H2,1-4H3
InChIKeyJZFJJMFAHLVODE-UHFFFAOYSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.41
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

2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
CID 89127071
2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 526892
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
heptadecyl 2,2-dimethylpropanoate
CID 568514
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
undecyl 2,2-dimethylpropanoate;hydrochloride
CID 174740380
2-pentoxyethyl 2,2-dimethylpropaneperoxoate
CID 87707832
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87841701
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
1-(2-butoxyethoxy)-4,4-dimethylpentan-3-one
CID 88916536
1-(2-butoxyethoxy)-3,3-dimethylbutan-2-one
CID 43800229

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate (CID 88970613) is 2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate is CCCCOCCOCCOC(=O)C(C)(C)C.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate?
The InChIKey is JZFJJMFAHLVODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-5-6-7-15-8-9-16-10-11-17-12(14)13(2,3)4/h5-11H2,1-4H3.
What are the key properties of 2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate?
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate has a molecular weight of 246.35 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 88970613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).