2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane

C10H18O4 — CID 87443320

IUPAC2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane
SMILESCC(OCCOC(C)C1CO1)C1CO1
InChIInChI=1S/C10H18O4/c1-7(9-5-13-9)11-3-4-12-8(2)10-6-14-10/h7-10H,3-6H2,1-2H3
InChIKeyNQGKYWYLVWYWJM-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.59
Rot. Bonds7

About 2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane

2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane (PubChem CID 87443320) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane
PubChem CID87443320
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane
SMILESCC(OCCOC(C)C1CO1)C1CO1
InChIInChI=1S/C10H18O4/c1-7(9-5-13-9)11-3-4-12-8(2)10-6-14-10/h7-10H,3-6H2,1-2H3
InChIKeyNQGKYWYLVWYWJM-UHFFFAOYSA-N
XLogP0.59
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.59
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-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]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-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol
CID 139962593
(2S)-2-[(1R)-1-(2-methylpropoxy)ethyl]oxirane
CID 129452603
(2R)-2-[(1R)-1-(2-methylpropoxy)ethyl]oxirane
CID 129452601
(2R)-2-[(1R)-1-methoxyethyl]oxirane
CID 124579088
2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane
CID 123779064
2-(1-fluoro-2-methylbutyl)oxirane
CID 139703850
2-(1-bromo-2-methylbutyl)oxirane
CID 139703846
2-butan-2-yloxirane;methane
CID 161408982
2-pentan-3-yloxirane
CID 22563957
2-[butoxy(oxiran-2-yl)methyl]oxirane
CID 146313335
3-methyl-1-(oxiran-2-yl)butan-1-ol
CID 73110178

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane?
The IUPAC name of 2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane (CID 87443320) is 2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane.
What is the SMILES notation for 2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane?
The canonical SMILES for 2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane is CC(OCCOC(C)C1CO1)C1CO1.
What is the InChIKey of 2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane?
The InChIKey is NQGKYWYLVWYWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(9-5-13-9)11-3-4-12-8(2)10-6-14-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane?
2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane has a molecular weight of 202.25 g/mol, XLogP of 0.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane is sourced from PubChem (CID 87443320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).