2-methoxy-6-methyloct-4-en-3-one

C10H18O2 — CID 123447764

IUPAC2-methoxy-6-methyloct-4-en-3-one
SMILESCCC(C)C=CC(=O)C(C)OC
InChIInChI=1S/C10H18O2/c1-5-8(2)6-7-10(11)9(3)12-4/h6-9H,5H2,1-4H3
InChIKeyQWZFCIROYQBECE-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds5

About 2-methoxy-6-methyloct-4-en-3-one

2-methoxy-6-methyloct-4-en-3-one (PubChem CID 123447764) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methoxy-6-methyloct-4-en-3-one.

Molecular Properties

Compound Name2-methoxy-6-methyloct-4-en-3-one
PubChem CID123447764
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methoxy-6-methyloct-4-en-3-one
SMILESCCC(C)C=CC(=O)C(C)OC
InChIInChI=1S/C10H18O2/c1-5-8(2)6-7-10(11)9(3)12-4/h6-9H,5H2,1-4H3
InChIKeyQWZFCIROYQBECE-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4E,8E)-5,9-dimethyl-2-propan-2-yl-1-oxacycloundeca-4,8-diene-3,10-dione
CID 163195494
(E)-1-methoxynon-3-en-2-one
CID 12035689
5-Hydroxy-2-methoxy-6-methylhept-4-en-3-one
CID 72534512
7-Methoxy-5-methylhept-3-en-2-one
CID 85648627
7-Methoxy-6-methylhept-3-en-2-one
CID 85648631
(E)-4-methyl-1-(oxiran-2-yl)pent-2-en-1-one
CID 89002141
(E)-5-methyl-5-(3-methylbutoxy)hept-2-en-4-one
CID 89033477
4-Ethenoxy-2-methylhex-4-en-3-one
CID 90754214
(E,2S)-2-butoxyhex-4-en-3-one
CID 121465988
(3Z)-1-methoxy-6,7-dimethylnona-3,5,8-trien-2-one
CID 123269114
5-Methoxy-5-methylhept-2-en-4-one
CID 124015180
(E)-2-methoxy-2-methylhex-4-en-3-one
CID 131399216

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyloct-4-en-3-one?
The IUPAC name of 2-methoxy-6-methyloct-4-en-3-one (CID 123447764) is 2-methoxy-6-methyloct-4-en-3-one.
What is the SMILES notation for 2-methoxy-6-methyloct-4-en-3-one?
The canonical SMILES for 2-methoxy-6-methyloct-4-en-3-one is CCC(C)C=CC(=O)C(C)OC.
What is the InChIKey of 2-methoxy-6-methyloct-4-en-3-one?
The InChIKey is QWZFCIROYQBECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8(2)6-7-10(11)9(3)12-4/h6-9H,5H2,1-4H3.
What are the key properties of 2-methoxy-6-methyloct-4-en-3-one?
2-methoxy-6-methyloct-4-en-3-one has a molecular weight of 170.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyloct-4-en-3-one is sourced from PubChem (CID 123447764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).