4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane

C13H24O4 — CID 155070008

IUPAC4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane
SMILESC=COCCOCCOCC1CCOC(C)C1
InChIInChI=1S/C13H24O4/c1-3-14-6-7-15-8-9-16-11-13-4-5-17-12(2)10-13/h3,12-13H,1,4-11H2,2H3
InChIKeyZPDFHTIDNOPRKY-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.99
Rot. Bonds9

About 4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane

4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane (PubChem CID 155070008) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane.

Molecular Properties

Compound Name4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane
PubChem CID155070008
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane
SMILESC=COCCOCCOCC1CCOC(C)C1
InChIInChI=1S/C13H24O4/c1-3-14-6-7-15-8-9-16-11-13-4-5-17-12(2)10-13/h3,12-13H,1,4-11H2,2H3
InChIKeyZPDFHTIDNOPRKY-UHFFFAOYSA-N
XLogP1.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane?
The IUPAC name of 4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane (CID 155070008) is 4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane.
What is the SMILES notation for 4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane?
The canonical SMILES for 4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane is C=COCCOCCOCC1CCOC(C)C1.
What is the InChIKey of 4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane?
The InChIKey is ZPDFHTIDNOPRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-3-14-6-7-15-8-9-16-11-13-4-5-17-12(2)10-13/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane?
4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane has a molecular weight of 244.33 g/mol, XLogP of 1.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethenoxyethoxy)ethoxymethyl]-2-methyloxane is sourced from PubChem (CID 155070008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).