2-(4,4-diethoxybutoxymethyl)oxirane

C11H22O4 — CID 87292849

IUPAC2-(4,4-diethoxybutoxymethyl)oxirane
SMILESCCOC(CCCOCC1CO1)OCC
InChIInChI=1S/C11H22O4/c1-3-13-11(14-4-2)6-5-7-12-8-10-9-15-10/h10-11H,3-9H2,1-2H3
InChIKeySJTLVQKZCDZGQJ-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.58
Rot. Bonds10

About 2-(4,4-diethoxybutoxymethyl)oxirane

2-(4,4-diethoxybutoxymethyl)oxirane (PubChem CID 87292849) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(4,4-diethoxybutoxymethyl)oxirane.

Molecular Properties

Compound Name2-(4,4-diethoxybutoxymethyl)oxirane
PubChem CID87292849
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-(4,4-diethoxybutoxymethyl)oxirane
SMILESCCOC(CCCOCC1CO1)OCC
InChIInChI=1S/C11H22O4/c1-3-13-11(14-4-2)6-5-7-12-8-10-9-15-10/h10-11H,3-9H2,1-2H3
InChIKeySJTLVQKZCDZGQJ-UHFFFAOYSA-N
XLogP1.58
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4,4-diethoxybutoxymethyl)oxirane 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-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 123713397
2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane
CID 150898745
diethoxymethyl-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 154354243
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethoxybutoxymethyl)oxirane?
The IUPAC name of 2-(4,4-diethoxybutoxymethyl)oxirane (CID 87292849) is 2-(4,4-diethoxybutoxymethyl)oxirane.
What is the SMILES notation for 2-(4,4-diethoxybutoxymethyl)oxirane?
The canonical SMILES for 2-(4,4-diethoxybutoxymethyl)oxirane is CCOC(CCCOCC1CO1)OCC.
What is the InChIKey of 2-(4,4-diethoxybutoxymethyl)oxirane?
The InChIKey is SJTLVQKZCDZGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-13-11(14-4-2)6-5-7-12-8-10-9-15-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(4,4-diethoxybutoxymethyl)oxirane?
2-(4,4-diethoxybutoxymethyl)oxirane has a molecular weight of 218.29 g/mol, XLogP of 1.58, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethoxybutoxymethyl)oxirane is sourced from PubChem (CID 87292849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).