5-methoxy-9-methyldec-6-en-3-one

C12H22O2 — CID 173120923

IUPAC5-methoxy-9-methyldec-6-en-3-one
SMILESCCC(=O)CC(C=CCC(C)C)OC
InChIInChI=1S/C12H22O2/c1-5-11(13)9-12(14-4)8-6-7-10(2)3/h6,8,10,12H,5,7,9H2,1-4H3
InChIKeyQMCUFMUGORAXSU-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.97
Rot. Bonds7

About 5-methoxy-9-methyldec-6-en-3-one

5-methoxy-9-methyldec-6-en-3-one (PubChem CID 173120923) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-methoxy-9-methyldec-6-en-3-one.

Molecular Properties

Compound Name5-methoxy-9-methyldec-6-en-3-one
PubChem CID173120923
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name5-methoxy-9-methyldec-6-en-3-one
SMILESCCC(=O)CC(C=CCC(C)C)OC
InChIInChI=1S/C12H22O2/c1-5-11(13)9-12(14-4)8-6-7-10(2)3/h6,8,10,12H,5,7,9H2,1-4H3
InChIKeyQMCUFMUGORAXSU-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9-methyldec-6-en-3-one?
The IUPAC name of 5-methoxy-9-methyldec-6-en-3-one (CID 173120923) is 5-methoxy-9-methyldec-6-en-3-one.
What is the SMILES notation for 5-methoxy-9-methyldec-6-en-3-one?
The canonical SMILES for 5-methoxy-9-methyldec-6-en-3-one is CCC(=O)CC(C=CCC(C)C)OC.
What is the InChIKey of 5-methoxy-9-methyldec-6-en-3-one?
The InChIKey is QMCUFMUGORAXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-11(13)9-12(14-4)8-6-7-10(2)3/h6,8,10,12H,5,7,9H2,1-4H3.
What are the key properties of 5-methoxy-9-methyldec-6-en-3-one?
5-methoxy-9-methyldec-6-en-3-one has a molecular weight of 198.31 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9-methyldec-6-en-3-one is sourced from PubChem (CID 173120923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).