(E)-1-methoxyhept-1-en-4-one

C8H14O2 — CID 15093797

IUPAC(E)-1-methoxyhept-1-en-4-one
SMILESCCCC(=O)C/C=C/OC
InChIInChI=1S/C8H14O2/c1-3-5-8(9)6-4-7-10-2/h4,7H,3,5-6H2,1-2H3/b7-4+
InChIKeyYAXYSLSUUOFHGT-QPJJXVBHSA-N
MW142.20 g/mol
LogP1.91
Rot. Bonds5

About (E)-1-methoxyhept-1-en-4-one

(E)-1-methoxyhept-1-en-4-one (PubChem CID 15093797) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-1-methoxyhept-1-en-4-one.

Molecular Properties

Compound Name(E)-1-methoxyhept-1-en-4-one
PubChem CID15093797
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-1-methoxyhept-1-en-4-one
SMILESCCCC(=O)C/C=C/OC
InChIInChI=1S/C8H14O2/c1-3-5-8(9)6-4-7-10-2/h4,7H,3,5-6H2,1-2H3/b7-4+
InChIKeyYAXYSLSUUOFHGT-QPJJXVBHSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethoxymethyleneacetylacetone
CID 53800728
(E)-1-ethoxy-4-fluorohex-1-en-3-one
CID 153569939
(E)-1-methoxyhept-1-en-3-one
CID 9989357
(E)-10-methoxydec-9-en-5-one
CID 12757740
(E)-1-methoxynon-1-en-5-one
CID 12757752
3-(2-Ethoxy)vinylpentane-2,4-dione
CID 129797531
(E)-1-methoxydec-1-en-4-one
CID 14044874
(Z)-7-butoxyhept-6-en-2-one
CID 58460766
(Z)-6-butoxyhex-5-en-2-one
CID 58460815
(E)-10-methoxydec-9-en-2-one
CID 59510856
(E)-6-methoxy-5-methylhex-5-en-2-one
CID 59976254
7-Methoxyhept-1-en-4-one
CID 65094654

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxyhept-1-en-4-one?
The IUPAC name of (E)-1-methoxyhept-1-en-4-one (CID 15093797) is (E)-1-methoxyhept-1-en-4-one.
What is the SMILES notation for (E)-1-methoxyhept-1-en-4-one?
The canonical SMILES for (E)-1-methoxyhept-1-en-4-one is CCCC(=O)C/C=C/OC.
What is the InChIKey of (E)-1-methoxyhept-1-en-4-one?
The InChIKey is YAXYSLSUUOFHGT-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-8(9)6-4-7-10-2/h4,7H,3,5-6H2,1-2H3/b7-4+.
What are the key properties of (E)-1-methoxyhept-1-en-4-one?
(E)-1-methoxyhept-1-en-4-one has a molecular weight of 142.20 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxyhept-1-en-4-one is sourced from PubChem (CID 15093797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).