2-methoxy-2-methylnon-8-en-4-one

C11H20O2 — CID 103023269

IUPAC2-methoxy-2-methylnon-8-en-4-one
SMILESC=CCCCC(=O)CC(C)(C)OC
InChIInChI=1S/C11H20O2/c1-5-6-7-8-10(12)9-11(2,3)13-4/h5H,1,6-9H2,2-4H3
InChIKeyXYHXJXJPHOOSQH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds7

About 2-methoxy-2-methylnon-8-en-4-one

2-methoxy-2-methylnon-8-en-4-one (PubChem CID 103023269) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methoxy-2-methylnon-8-en-4-one.

Molecular Properties

Compound Name2-methoxy-2-methylnon-8-en-4-one
PubChem CID103023269
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methoxy-2-methylnon-8-en-4-one
SMILESC=CCCCC(=O)CC(C)(C)OC
InChIInChI=1S/C11H20O2/c1-5-6-7-8-10(12)9-11(2,3)13-4/h5H,1,6-9H2,2-4H3
InChIKeyXYHXJXJPHOOSQH-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Methyl-4-oxotetradec-13-en-2-yl) formate
CID 56993251
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one
CID 157052916
(5R)-5-[(1S)-1-methoxyethyl]undec-1-en-4-one
CID 10537256
(5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one
CID 10775643
1-Methoxyoct-7-en-3-one
CID 64315896
7-Ethyl-7-hydroxynon-1-en-5-one
CID 71391785
2-Methoxy-2-methyloct-7-en-3-one
CID 79198204
1-(2,6,6-Trimethyloxan-2-yl)pent-4-en-2-one
CID 101162818
(5S)-5-[(1S)-1-methoxyethyl]undec-1-en-4-one
CID 101993201
(5S)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one
CID 101993202
6-Methoxy-6-methylhept-1-en-4-one
CID 103023085
2-Methoxy-2-methyloct-7-en-4-one
CID 103023270

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylnon-8-en-4-one?
The IUPAC name of 2-methoxy-2-methylnon-8-en-4-one (CID 103023269) is 2-methoxy-2-methylnon-8-en-4-one.
What is the SMILES notation for 2-methoxy-2-methylnon-8-en-4-one?
The canonical SMILES for 2-methoxy-2-methylnon-8-en-4-one is C=CCCCC(=O)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methylnon-8-en-4-one?
The InChIKey is XYHXJXJPHOOSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-6-7-8-10(12)9-11(2,3)13-4/h5H,1,6-9H2,2-4H3.
What are the key properties of 2-methoxy-2-methylnon-8-en-4-one?
2-methoxy-2-methylnon-8-en-4-one has a molecular weight of 184.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylnon-8-en-4-one is sourced from PubChem (CID 103023269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).