2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate

C11H20O4 — CID 21349115

IUPAC2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCOCC1CO1
InChIInChI=1S/C11H20O4/c1-4-11(2,3)10(12)14-6-5-13-7-9-8-15-9/h9H,4-8H2,1-3H3
InChIKeyNKKDOMFLNUDQAK-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.38
Rot. Bonds7

About 2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate

2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate (PubChem CID 21349115) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate
PubChem CID21349115
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCOCC1CO1
InChIInChI=1S/C11H20O4/c1-4-11(2,3)10(12)14-6-5-13-7-9-8-15-9/h9H,4-8H2,1-3H3
InChIKeyNKKDOMFLNUDQAK-UHFFFAOYSA-N
XLogP1.38
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(oxiran-2-ylmethoxy)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-(oxiran-2-ylmethoxy)ethyl 2-bromo-2-methylpropanoate
CID 122573053
3-(oxiran-2-yl)propyl 2,2-dimethylbutanoate
CID 134393945
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
CID 89127071
bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate
CID 88755301
1-O-butyl 5-O-(oxiran-2-ylmethyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 174345875
2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate
CID 174745947
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2,2-dimethylbutanoate;3,3,3-trifluoropropyl 2,2-dimethylbutanoate
CID 91049301
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-(3-oxobutoxymethoxy)ethyl 2,2-dimethylbutanoate
CID 59991240
2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 88716952
2-(2-adamantyloxymethoxy)ethyl 2,2-dimethylbutanoate
CID 59197515
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate (CID 21349115) is 2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCOCC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate?
The InChIKey is NKKDOMFLNUDQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-11(2,3)10(12)14-6-5-13-7-9-8-15-9/h9H,4-8H2,1-3H3.
What are the key properties of 2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate?
2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate has a molecular weight of 216.28 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 21349115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).