ethenoxymethoxyethane

C5H10O2 — CID 21189113

IUPACethenoxymethoxyethane
SMILESC=COCOCC
InChIInChI=1S/C5H10O2/c1-3-6-5-7-4-2/h3H,1,4-5H2,2H3
InChIKeyXREZAPYWZGJIFS-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.14
Rot. Bonds4

About ethenoxymethoxyethane

ethenoxymethoxyethane (PubChem CID 21189113) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is ethenoxymethoxyethane.

Molecular Properties

Compound Nameethenoxymethoxyethane
PubChem CID21189113
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Nameethenoxymethoxyethane
SMILESC=COCOCC
InChIInChI=1S/C5H10O2/c1-3-6-5-7-4-2/h3H,1,4-5H2,2H3
InChIKeyXREZAPYWZGJIFS-UHFFFAOYSA-N
XLogP1.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.14
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxymethoxyethane?
The IUPAC name of ethenoxymethoxyethane (CID 21189113) is ethenoxymethoxyethane.
What is the SMILES notation for ethenoxymethoxyethane?
The canonical SMILES for ethenoxymethoxyethane is C=COCOCC.
What is the InChIKey of ethenoxymethoxyethane?
The InChIKey is XREZAPYWZGJIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-6-5-7-4-2/h3H,1,4-5H2,2H3.
What are the key properties of ethenoxymethoxyethane?
ethenoxymethoxyethane has a molecular weight of 102.13 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxymethoxyethane is sourced from PubChem (CID 21189113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).