2-methoxyhex-1-en-3-one

C7H12O2 — CID 24976898

IUPAC2-methoxyhex-1-en-3-one
SMILESC=C(OC)C(=O)CCC
InChIInChI=1S/C7H12O2/c1-4-5-7(8)6(2)9-3/h2,4-5H2,1,3H3
InChIKeyFHFAKXRAEJMXNV-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.52
Rot. Bonds4

About 2-methoxyhex-1-en-3-one

2-methoxyhex-1-en-3-one (PubChem CID 24976898) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methoxyhex-1-en-3-one.

Molecular Properties

Compound Name2-methoxyhex-1-en-3-one
PubChem CID24976898
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-methoxyhex-1-en-3-one
SMILESC=C(OC)C(=O)CCC
InChIInChI=1S/C7H12O2/c1-4-5-7(8)6(2)9-3/h2,4-5H2,1,3H3
InChIKeyFHFAKXRAEJMXNV-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Ethoxyhex-5-ene-2,4-dione
CID 89819809
2-Ethenoxyhex-1-en-3-one
CID 123668026
2-Methoxypent-1-en-3-one
CID 123812542
2-Methylideneoxan-3-one
CID 163627790
4-Methoxypent-4-ene-2,3-dione
CID 10654239
2-Ethoxyhex-1-en-3-one
CID 13040570
3-Oxohex-1-en-2-yl acetate
CID 101466444
2-Ethoxypent-1-en-3-one
CID 130028330

Frequently Asked Questions

What is the IUPAC name of 2-methoxyhex-1-en-3-one?
The IUPAC name of 2-methoxyhex-1-en-3-one (CID 24976898) is 2-methoxyhex-1-en-3-one.
What is the SMILES notation for 2-methoxyhex-1-en-3-one?
The canonical SMILES for 2-methoxyhex-1-en-3-one is C=C(OC)C(=O)CCC.
What is the InChIKey of 2-methoxyhex-1-en-3-one?
The InChIKey is FHFAKXRAEJMXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-5-7(8)6(2)9-3/h2,4-5H2,1,3H3.
What are the key properties of 2-methoxyhex-1-en-3-one?
2-methoxyhex-1-en-3-one has a molecular weight of 128.17 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyhex-1-en-3-one is sourced from PubChem (CID 24976898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).