3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane

C14H24O4 — CID 155071976

IUPAC3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane
SMILESC=COC(C)(C)COC1COCC(C)(OC=C)C1
InChIInChI=1S/C14H24O4/c1-6-17-13(3,4)10-16-12-8-14(5,18-7-2)11-15-9-12/h6-7,12H,1-2,8-11H2,3-5H3
InChIKeyPGUYJSSNOVSTNY-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.65
Rot. Bonds7

About 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane

3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane (PubChem CID 155071976) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane.

Molecular Properties

Compound Name3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane
PubChem CID155071976
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane
SMILESC=COC(C)(C)COC1COCC(C)(OC=C)C1
InChIInChI=1S/C14H24O4/c1-6-17-13(3,4)10-16-12-8-14(5,18-7-2)11-15-9-12/h6-7,12H,1-2,8-11H2,3-5H3
InChIKeyPGUYJSSNOVSTNY-UHFFFAOYSA-N
XLogP2.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane?
The IUPAC name of 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane (CID 155071976) is 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane.
What is the SMILES notation for 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane?
The canonical SMILES for 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane is C=COC(C)(C)COC1COCC(C)(OC=C)C1.
What is the InChIKey of 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane?
The InChIKey is PGUYJSSNOVSTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-6-17-13(3,4)10-16-12-8-14(5,18-7-2)11-15-9-12/h6-7,12H,1-2,8-11H2,3-5H3.
What are the key properties of 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane?
3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane has a molecular weight of 256.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-5-(2-ethenoxy-2-methylpropoxy)-3-methyloxane is sourced from PubChem (CID 155071976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).