(E)-6-methoxy-5-methylhex-5-en-2-one

C8H14O2 — CID 59976254

IUPAC(E)-6-methoxy-5-methylhex-5-en-2-one
SMILESCO/C=C(\C)CCC(C)=O
InChIInChI=1S/C8H14O2/c1-7(6-10-3)4-5-8(2)9/h6H,4-5H2,1-3H3/b7-6+
InChIKeyOQCQLKXQLRQJPQ-VOTSOKGWSA-N
MW142.20 g/mol
LogP1.91
Rot. Bonds4

About (E)-6-methoxy-5-methylhex-5-en-2-one

(E)-6-methoxy-5-methylhex-5-en-2-one (PubChem CID 59976254) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-6-methoxy-5-methylhex-5-en-2-one.

Molecular Properties

Compound Name(E)-6-methoxy-5-methylhex-5-en-2-one
PubChem CID59976254
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-6-methoxy-5-methylhex-5-en-2-one
SMILESCO/C=C(\C)CCC(C)=O
InChIInChI=1S/C8H14O2/c1-7(6-10-3)4-5-8(2)9/h6H,4-5H2,1-3H3/b7-6+
InChIKeyOQCQLKXQLRQJPQ-VOTSOKGWSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (E)-6-methoxy-5-methylhex-5-en-2-one?
The IUPAC name of (E)-6-methoxy-5-methylhex-5-en-2-one (CID 59976254) is (E)-6-methoxy-5-methylhex-5-en-2-one.
What is the SMILES notation for (E)-6-methoxy-5-methylhex-5-en-2-one?
The canonical SMILES for (E)-6-methoxy-5-methylhex-5-en-2-one is CO/C=C(\C)CCC(C)=O.
What is the InChIKey of (E)-6-methoxy-5-methylhex-5-en-2-one?
The InChIKey is OQCQLKXQLRQJPQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(6-10-3)4-5-8(2)9/h6H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-6-methoxy-5-methylhex-5-en-2-one?
(E)-6-methoxy-5-methylhex-5-en-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxy-5-methylhex-5-en-2-one is sourced from PubChem (CID 59976254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).