2-methoxy-2,7-dimethyloct-7-en-4-one

C11H20O2 — CID 103023523

IUPAC2-methoxy-2,7-dimethyloct-7-en-4-one
SMILESC=C(C)CCC(=O)CC(C)(C)OC
InChIInChI=1S/C11H20O2/c1-9(2)6-7-10(12)8-11(3,4)13-5/h1,6-8H2,2-5H3
InChIKeyCYZWUZZPNDBDLY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds6

About 2-methoxy-2,7-dimethyloct-7-en-4-one

2-methoxy-2,7-dimethyloct-7-en-4-one (PubChem CID 103023523) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methoxy-2,7-dimethyloct-7-en-4-one.

Molecular Properties

Compound Name2-methoxy-2,7-dimethyloct-7-en-4-one
PubChem CID103023523
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methoxy-2,7-dimethyloct-7-en-4-one
SMILESC=C(C)CCC(=O)CC(C)(C)OC
InChIInChI=1S/C11H20O2/c1-9(2)6-7-10(12)8-11(3,4)13-5/h1,6-8H2,2-5H3
InChIKeyCYZWUZZPNDBDLY-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-Diethyl-3,4-dihydropyran-2-yl)propan-2-one
CID 20314076
7-Ethoxy-7-methyl-3-methylideneoctan-4-one
CID 123429345
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one
CID 157052916
3-Methylidene-1-(oxolan-3-yl)pentan-1-one
CID 66043837
3-Methylidene-1-(oxan-3-yl)pentan-1-one
CID 66043839
1-Methoxy-5-methylideneheptan-3-one
CID 66046234
2-Methoxy-2-methyl-5-methylideneheptan-3-one
CID 79202716
2-Methoxy-2-methylnon-8-en-4-one
CID 103023269
2-Methoxy-2-methyloct-7-en-4-one
CID 103023270
6-Methoxy-2,6-dimethylhept-1-en-4-one
CID 103023336
2-Methoxy-2-methyl-6-methylideneoctan-4-one
CID 103023338
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-one
CID 103023488

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,7-dimethyloct-7-en-4-one?
The IUPAC name of 2-methoxy-2,7-dimethyloct-7-en-4-one (CID 103023523) is 2-methoxy-2,7-dimethyloct-7-en-4-one.
What is the SMILES notation for 2-methoxy-2,7-dimethyloct-7-en-4-one?
The canonical SMILES for 2-methoxy-2,7-dimethyloct-7-en-4-one is C=C(C)CCC(=O)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2,7-dimethyloct-7-en-4-one?
The InChIKey is CYZWUZZPNDBDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)6-7-10(12)8-11(3,4)13-5/h1,6-8H2,2-5H3.
What are the key properties of 2-methoxy-2,7-dimethyloct-7-en-4-one?
2-methoxy-2,7-dimethyloct-7-en-4-one has a molecular weight of 184.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,7-dimethyloct-7-en-4-one is sourced from PubChem (CID 103023523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).