(4E)-4-ethylidene-3-methyloxane

C8H14O — CID 130219497

IUPAC(4E)-4-ethylidene-3-methyloxane
SMILESC/C=C1\CCOCC1C
InChIInChI=1S/C8H14O/c1-3-8-4-5-9-6-7(8)2/h3,7H,4-6H2,1-2H3/b8-3+
InChIKeyXXKCYFREYAEUER-FPYGCLRLSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds

About (4E)-4-ethylidene-3-methyloxane

(4E)-4-ethylidene-3-methyloxane (PubChem CID 130219497) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (4E)-4-ethylidene-3-methyloxane.

Molecular Properties

Compound Name(4E)-4-ethylidene-3-methyloxane
PubChem CID130219497
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(4E)-4-ethylidene-3-methyloxane
SMILESC/C=C1\CCOCC1C
InChIInChI=1S/C8H14O/c1-3-8-4-5-9-6-7(8)2/h3,7H,4-6H2,1-2H3/b8-3+
InChIKeyXXKCYFREYAEUER-FPYGCLRLSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-3-methyloxane?
The IUPAC name of (4E)-4-ethylidene-3-methyloxane (CID 130219497) is (4E)-4-ethylidene-3-methyloxane.
What is the SMILES notation for (4E)-4-ethylidene-3-methyloxane?
The canonical SMILES for (4E)-4-ethylidene-3-methyloxane is C/C=C1\CCOCC1C.
What is the InChIKey of (4E)-4-ethylidene-3-methyloxane?
The InChIKey is XXKCYFREYAEUER-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8-4-5-9-6-7(8)2/h3,7H,4-6H2,1-2H3/b8-3+.
What are the key properties of (4E)-4-ethylidene-3-methyloxane?
(4E)-4-ethylidene-3-methyloxane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-3-methyloxane is sourced from PubChem (CID 130219497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).