6-ethenoxy-2-methylhex-1-en-3-one

C9H14O2 — CID 59637756

IUPAC6-ethenoxy-2-methylhex-1-en-3-one
SMILESC=COCCCC(=O)C(=C)C
InChIInChI=1S/C9H14O2/c1-4-11-7-5-6-9(10)8(2)3/h4H,1-2,5-7H2,3H3
InChIKeyNUBVGFRBUASTOT-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.07
Rot. Bonds6

About 6-ethenoxy-2-methylhex-1-en-3-one

6-ethenoxy-2-methylhex-1-en-3-one (PubChem CID 59637756) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-ethenoxy-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-ethenoxy-2-methylhex-1-en-3-one
PubChem CID59637756
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-ethenoxy-2-methylhex-1-en-3-one
SMILESC=COCCCC(=O)C(=C)C
InChIInChI=1S/C9H14O2/c1-4-11-7-5-6-9(10)8(2)3/h4H,1-2,5-7H2,3H3
InChIKeyNUBVGFRBUASTOT-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenoxy-2-methylhex-1-en-3-one?
The IUPAC name of 6-ethenoxy-2-methylhex-1-en-3-one (CID 59637756) is 6-ethenoxy-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-ethenoxy-2-methylhex-1-en-3-one?
The canonical SMILES for 6-ethenoxy-2-methylhex-1-en-3-one is C=COCCCC(=O)C(=C)C.
What is the InChIKey of 6-ethenoxy-2-methylhex-1-en-3-one?
The InChIKey is NUBVGFRBUASTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-11-7-5-6-9(10)8(2)3/h4H,1-2,5-7H2,3H3.
What are the key properties of 6-ethenoxy-2-methylhex-1-en-3-one?
6-ethenoxy-2-methylhex-1-en-3-one has a molecular weight of 154.21 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenoxy-2-methylhex-1-en-3-one is sourced from PubChem (CID 59637756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).