6-(methoxymethyl)dec-1-en-3-one

C12H22O2 — CID 123986515

IUPAC6-(methoxymethyl)dec-1-en-3-one
SMILESC=CC(=O)CCC(CCCC)COC
InChIInChI=1S/C12H22O2/c1-4-6-7-11(10-14-3)8-9-12(13)5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyHLBAQESGOARHNY-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.97
Rot. Bonds9

About 6-(methoxymethyl)dec-1-en-3-one

6-(methoxymethyl)dec-1-en-3-one (PubChem CID 123986515) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 6-(methoxymethyl)dec-1-en-3-one.

Molecular Properties

Compound Name6-(methoxymethyl)dec-1-en-3-one
PubChem CID123986515
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name6-(methoxymethyl)dec-1-en-3-one
SMILESC=CC(=O)CCC(CCCC)COC
InChIInChI=1S/C12H22O2/c1-4-6-7-11(10-14-3)8-9-12(13)5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyHLBAQESGOARHNY-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-ethyloct-1-en-3-one
CID 83963336
5-(methoxymethyl)decane
CID 123387036
2-butyldodecyl prop-2-enoate
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19-(methoxymethyl)heptatriacontane
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[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
2-octyldecyl prop-2-enoate
CID 71353023
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
7-(methoxymethyl)henicos-1-ene-5,10-dione
CID 139549646
6-methylnon-1-en-3-one
CID 173408928
acetic acid;3-(ethenoxymethyl)heptane
CID 174888380
5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate
CID 91706348

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)dec-1-en-3-one?
The IUPAC name of 6-(methoxymethyl)dec-1-en-3-one (CID 123986515) is 6-(methoxymethyl)dec-1-en-3-one.
What is the SMILES notation for 6-(methoxymethyl)dec-1-en-3-one?
The canonical SMILES for 6-(methoxymethyl)dec-1-en-3-one is C=CC(=O)CCC(CCCC)COC.
What is the InChIKey of 6-(methoxymethyl)dec-1-en-3-one?
The InChIKey is HLBAQESGOARHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-6-7-11(10-14-3)8-9-12(13)5-2/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of 6-(methoxymethyl)dec-1-en-3-one?
6-(methoxymethyl)dec-1-en-3-one has a molecular weight of 198.31 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)dec-1-en-3-one is sourced from PubChem (CID 123986515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).