8-methoxy-5,5-dimethyloct-1-en-3-one

C11H20O2 — CID 88783831

IUPAC8-methoxy-5,5-dimethyloct-1-en-3-one
SMILESC=CC(=O)CC(C)(C)CCCOC
InChIInChI=1S/C11H20O2/c1-5-10(12)9-11(2,3)7-6-8-13-4/h5H,1,6-9H2,2-4H3
InChIKeyOPOUETCUEBUZGB-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds7

About 8-methoxy-5,5-dimethyloct-1-en-3-one

8-methoxy-5,5-dimethyloct-1-en-3-one (PubChem CID 88783831) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 8-methoxy-5,5-dimethyloct-1-en-3-one.

Molecular Properties

Compound Name8-methoxy-5,5-dimethyloct-1-en-3-one
PubChem CID88783831
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name8-methoxy-5,5-dimethyloct-1-en-3-one
SMILESC=CC(=O)CC(C)(C)CCCOC
InChIInChI=1S/C11H20O2/c1-5-10(12)9-11(2,3)7-6-8-13-4/h5H,1,6-9H2,2-4H3
InChIKeyOPOUETCUEBUZGB-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 8-methoxy-5,5-dimethyloct-1-en-3-one?
The IUPAC name of 8-methoxy-5,5-dimethyloct-1-en-3-one (CID 88783831) is 8-methoxy-5,5-dimethyloct-1-en-3-one.
What is the SMILES notation for 8-methoxy-5,5-dimethyloct-1-en-3-one?
The canonical SMILES for 8-methoxy-5,5-dimethyloct-1-en-3-one is C=CC(=O)CC(C)(C)CCCOC.
What is the InChIKey of 8-methoxy-5,5-dimethyloct-1-en-3-one?
The InChIKey is OPOUETCUEBUZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-10(12)9-11(2,3)7-6-8-13-4/h5H,1,6-9H2,2-4H3.
What are the key properties of 8-methoxy-5,5-dimethyloct-1-en-3-one?
8-methoxy-5,5-dimethyloct-1-en-3-one has a molecular weight of 184.28 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5,5-dimethyloct-1-en-3-one is sourced from PubChem (CID 88783831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).