(E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one

C14H24O4 — CID 141103506

IUPAC(E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one
SMILESC=C(CC)C(COCCOC)(OC)C(=O)/C=C/C
InChIInChI=1S/C14H24O4/c1-6-8-13(15)14(17-5,12(3)7-2)11-18-10-9-16-4/h6,8H,3,7,9-11H2,1-2,4-5H3/b8-6+
InChIKeyXQWLHLPARNJJDT-SOFGYWHQSA-N
MW256.34 g/mol
LogP2.15
Rot. Bonds10

About (E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one

(E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one (PubChem CID 141103506) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one.

Molecular Properties

Compound Name(E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one
PubChem CID141103506
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one
SMILESC=C(CC)C(COCCOC)(OC)C(=O)/C=C/C
InChIInChI=1S/C14H24O4/c1-6-8-13(15)14(17-5,12(3)7-2)11-18-10-9-16-4/h6,8H,3,7,9-11H2,1-2,4-5H3/b8-6+
InChIKeyXQWLHLPARNJJDT-SOFGYWHQSA-N
XLogP2.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,4-Diethoxy-2,4-bis(prop-2-enyl)cyclobut-2-en-1-one
CID 10911551
(1-Acetyloxy-2-oxocyclohex-3-en-1-yl)methyl acetate
CID 59123705
(E)-5-methoxy-5-(methoxymethyl)-6-methylideneoct-2-en-4-one
CID 141103502
4-Methoxy-2-methyl-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 11447148
4-Allyl-3,4-diethoxy-2-methylcyclobut-2-enone
CID 15272188

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one?
The IUPAC name of (E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one (CID 141103506) is (E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one.
What is the SMILES notation for (E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one?
The canonical SMILES for (E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one is C=C(CC)C(COCCOC)(OC)C(=O)/C=C/C.
What is the InChIKey of (E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one?
The InChIKey is XQWLHLPARNJJDT-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H24O4/c1-6-8-13(15)14(17-5,12(3)7-2)11-18-10-9-16-4/h6,8H,3,7,9-11H2,1-2,4-5H3/b8-6+.
What are the key properties of (E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one?
(E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one has a molecular weight of 256.34 g/mol, XLogP of 2.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-5-(2-methoxyethoxymethyl)-6-methylideneoct-2-en-4-one is sourced from PubChem (CID 141103506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).