1,2-diethoxyethane;oxirane

C8H18O3 — CID 159897663

IUPAC1,2-diethoxyethane;oxirane
SMILESC1CO1.CCOCCOCC
InChIInChI=1S/C6H14O2.C2H4O/c1-3-7-5-6-8-4-2;1-2-3-1/h3-6H2,1-2H3;1-2H2
InChIKeyNVOBCBMNECJRNV-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.08
Rot. Bonds5

About 1,2-diethoxyethane;oxirane

1,2-diethoxyethane;oxirane (PubChem CID 159897663) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1,2-diethoxyethane;oxirane.

Molecular Properties

Compound Name1,2-diethoxyethane;oxirane
PubChem CID159897663
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1,2-diethoxyethane;oxirane
SMILESC1CO1.CCOCCOCC
InChIInChI=1S/C6H14O2.C2H4O/c1-3-7-5-6-8-4-2;1-2-3-1/h3-6H2,1-2H3;1-2H2
InChIKeyNVOBCBMNECJRNV-UHFFFAOYSA-N
XLogP1.08
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethoxyethane;oxirane
CID 87097695
1,2-diethoxyethane;hydrofluoride
CID 175535770
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
2-ethoxyethoxymethyl(trimethyl)silane
CID 159297843
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
N-[2-(2-ethoxyethoxy)ethyl]oxan-4-amine
CID 63099695
3-(2-ethoxyethyl)oxetane
CID 67567831
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1,2-diethoxyethane;ethenamine
CID 160675526
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxyethane;oxirane?
The IUPAC name of 1,2-diethoxyethane;oxirane (CID 159897663) is 1,2-diethoxyethane;oxirane.
What is the SMILES notation for 1,2-diethoxyethane;oxirane?
The canonical SMILES for 1,2-diethoxyethane;oxirane is C1CO1.CCOCCOCC.
What is the InChIKey of 1,2-diethoxyethane;oxirane?
The InChIKey is NVOBCBMNECJRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C2H4O/c1-3-7-5-6-8-4-2;1-2-3-1/h3-6H2,1-2H3;1-2H2.
What are the key properties of 1,2-diethoxyethane;oxirane?
1,2-diethoxyethane;oxirane has a molecular weight of 162.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxyethane;oxirane is sourced from PubChem (CID 159897663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).