2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane

C11H22O4 — CID 162396138

IUPAC2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane
SMILESCCOCCOCCOCCCC1CO1
InChIInChI=1S/C11H22O4/c1-2-12-6-7-14-9-8-13-5-3-4-11-10-15-11/h11H,2-10H2,1H3
InChIKeyLRURVWDNFDUTBP-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.24
Rot. Bonds11

About 2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane

2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane (PubChem CID 162396138) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane.

Molecular Properties

Compound Name2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane
PubChem CID162396138
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane
SMILESCCOCCOCCOCCCC1CO1
InChIInChI=1S/C11H22O4/c1-2-12-6-7-14-9-8-13-5-3-4-11-10-15-11/h11H,2-10H2,1H3
InChIKeyLRURVWDNFDUTBP-UHFFFAOYSA-N
XLogP1.24
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.24
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'}

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Related Compounds

1,4-Anhydro-2,3,5-tri-O-methyl-D-ribitol
CID 6428066
3,4-Dimethoxy-2-(methoxymethyl)oxolane
CID 526629
Arabitol permethyl
CID 529415
7-Glycidoxytrimethylenetriethoxysilane
CID 129810160
(2S,4R)-1,2,3,4,5-pentamethoxypentane
CID 90120509
2-[3-(Oxiran-2-yl)propoxy]ethyl acetate
CID 162396142
2,2'-[Pentane-1,5-diylbis(oxymethylene)]bis(oxirane)
CID 14440450
5-Methoxy-1,2-bis(2-methoxyethoxy)pentane
CID 20641940
2-(3-Hexoxypropyl)oxirane
CID 22934414
2-(3-Propoxypropyl)oxirane
CID 22934432
2-(3-Pentoxypropyl)oxirane
CID 22934439
2-[2-(2-Methoxyethoxy)propyl]oxirane
CID 23468419

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane?
The IUPAC name of 2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane (CID 162396138) is 2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane.
What is the SMILES notation for 2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane?
The canonical SMILES for 2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane is CCOCCOCCOCCCC1CO1.
What is the InChIKey of 2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane?
The InChIKey is LRURVWDNFDUTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-2-12-6-7-14-9-8-13-5-3-4-11-10-15-11/h11H,2-10H2,1H3.
What are the key properties of 2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane?
2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane has a molecular weight of 218.29 g/mol, XLogP of 1.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]oxirane is sourced from PubChem (CID 162396138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).