1-ethenoxy-2-ethoxyethane

C6H12O2 — CID 14510945

IUPAC1-ethenoxy-2-ethoxyethane
SMILESC=COCCOCC
InChIInChI=1S/C6H12O2/c1-3-7-5-6-8-4-2/h3H,1,4-6H2,2H3
InChIKeyHWCLMKDWXUGDKL-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.18
Rot. Bonds5

About 1-ethenoxy-2-ethoxyethane

1-ethenoxy-2-ethoxyethane (PubChem CID 14510945) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-ethenoxy-2-ethoxyethane.

Molecular Properties

Compound Name1-ethenoxy-2-ethoxyethane
PubChem CID14510945
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-ethenoxy-2-ethoxyethane
SMILESC=COCCOCC
InChIInChI=1S/C6H12O2/c1-3-7-5-6-8-4-2/h3H,1,4-6H2,2H3
InChIKeyHWCLMKDWXUGDKL-UHFFFAOYSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 139860327
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863
1,2-diethoxyethane;ethenamine
CID 160675526
2-O,3-O,4-O,5-O,6-O-pentakis(2-ethenoxyethyl) 1-O-(2-ethoxyethyl) cyclohexane-1,2,3,4,5,6-hexacarboxylate
CID 149463478
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane
CID 158513619
N-(ethenoxymethyl)-1-(2-ethoxyethoxy)methanamine
CID 58402336
1,2-diethoxyethane;ethene
CID 158825770
1-(2-ethenoxyethoxy)dodecane
CID 59950400
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]decane
CID 151662960
1-ethenoxy-2-methoxyethane
CID 15457
1-(2-ethenoxyethoxy)-3-methoxypropane
CID 103177352
CID 54538570
CID 54538570

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-ethoxyethane?
The IUPAC name of 1-ethenoxy-2-ethoxyethane (CID 14510945) is 1-ethenoxy-2-ethoxyethane.
What is the SMILES notation for 1-ethenoxy-2-ethoxyethane?
The canonical SMILES for 1-ethenoxy-2-ethoxyethane is C=COCCOCC.
What is the InChIKey of 1-ethenoxy-2-ethoxyethane?
The InChIKey is HWCLMKDWXUGDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-7-5-6-8-4-2/h3H,1,4-6H2,2H3.
What are the key properties of 1-ethenoxy-2-ethoxyethane?
1-ethenoxy-2-ethoxyethane has a molecular weight of 116.16 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-ethoxyethane is sourced from PubChem (CID 14510945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).