2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate

C16H32O5 — CID 89127071

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
SMILESCCCCOCCOCCOCCOC(=O)C(C)(C)CC
InChIInChI=1S/C16H32O5/c1-5-7-8-18-9-10-19-11-12-20-13-14-21-15(17)16(3,4)6-2/h5-14H2,1-4H3
InChIKeySTVQEGSPHQCYAK-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.82
Rot. Bonds14

About 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate

2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate (PubChem CID 89127071) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
PubChem CID89127071
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
SMILESCCCCOCCOCCOCCOC(=O)C(C)(C)CC
InChIInChI=1S/C16H32O5/c1-5-7-8-18-9-10-19-11-12-20-13-14-21-15(17)16(3,4)6-2/h5-14H2,1-4H3
InChIKeySTVQEGSPHQCYAK-UHFFFAOYSA-N
XLogP2.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
pentyl 2,2-dimethylbutanoate
CID 59940538
butyl 2,2-dimethylbutanoate;2-(2,2-dimethylbutanoyloxy)ethyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;bromide
CID 159358971
tridecyl 2,2-dimethylbutanoate
CID 59651442
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2,2-dimethylbutanoate
CID 140829607
2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 526892
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
2-(3-oxobutoxymethoxy)ethyl 2,2-dimethylbutanoate
CID 59991240
2-(2-methoxybutoxy)ethyl 2,2-dimethylbutanoate
CID 177277329
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate (CID 89127071) is 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate is CCCCOCCOCCOCCOC(=O)C(C)(C)CC.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate?
The InChIKey is STVQEGSPHQCYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c1-5-7-8-18-9-10-19-11-12-20-13-14-21-15(17)16(3,4)6-2/h5-14H2,1-4H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate?
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate has a molecular weight of 304.43 g/mol, XLogP of 2.82, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 89127071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).