7-methoxy-5-methyl-6-methylideneoctan-2-one

C11H20O2 — CID 123449791

IUPAC7-methoxy-5-methyl-6-methylideneoctan-2-one
SMILESC=C(C(C)CCC(C)=O)C(C)OC
InChIInChI=1S/C11H20O2/c1-8(6-7-9(2)12)10(3)11(4)13-5/h8,11H,3,6-7H2,1-2,4-5H3
InChIKeyYTKLMSCANIRZOZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds6

About 7-methoxy-5-methyl-6-methylideneoctan-2-one

7-methoxy-5-methyl-6-methylideneoctan-2-one (PubChem CID 123449791) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-methoxy-5-methyl-6-methylideneoctan-2-one.

Molecular Properties

Compound Name7-methoxy-5-methyl-6-methylideneoctan-2-one
PubChem CID123449791
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name7-methoxy-5-methyl-6-methylideneoctan-2-one
SMILESC=C(C(C)CCC(C)=O)C(C)OC
InChIInChI=1S/C11H20O2/c1-8(6-7-9(2)12)10(3)11(4)13-5/h8,11H,3,6-7H2,1-2,4-5H3
InChIKeyYTKLMSCANIRZOZ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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-[(1R,4R)-4-methoxycyclohex-2-en-1-yl]propan-2-one
CID 13049887
1-[(1S,4R)-4-methoxycyclohex-2-en-1-yl]propan-2-one
CID 13049888
Ethyl 2-[(3-oxocyclohexyl)methyl]prop-2-enoate
CID 10081849
2-(2-Oxocyclooctyl)prop-2-enyl acetate
CID 15355961
Methyl 6-(methoxymethyl)-3-methylhept-6-enoate
CID 121223150
(5R)-7-[(5S)-5-butyl-3-methylideneoxolan-2-yl]-3,5-dimethylheptan-2-one
CID 58077717
(3R,5R)-7-[(5S)-5-butyl-3-methylideneoxolan-2-yl]-3,5-dimethylheptan-2-one
CID 58077724
3-Methoxy-1-(4-methylidenecyclohexyl)propan-1-one
CID 59992626
6-Methoxy-3,7-dimethyloct-7-en-2-one
CID 85965228
(3R,5R)-7-[(2S,5S)-5-butyl-3-methylideneoxolan-2-yl]-3,5-dimethylheptan-2-one
CID 89272658
(3R)-7-[(5S)-5-butyl-3-methylideneoxolan-2-yl]-3,5-dimethylheptan-2-one
CID 89798535
7-(Methoxymethyl)oct-7-en-2-one
CID 90464295

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-6-methylideneoctan-2-one?
The IUPAC name of 7-methoxy-5-methyl-6-methylideneoctan-2-one (CID 123449791) is 7-methoxy-5-methyl-6-methylideneoctan-2-one.
What is the SMILES notation for 7-methoxy-5-methyl-6-methylideneoctan-2-one?
The canonical SMILES for 7-methoxy-5-methyl-6-methylideneoctan-2-one is C=C(C(C)CCC(C)=O)C(C)OC.
What is the InChIKey of 7-methoxy-5-methyl-6-methylideneoctan-2-one?
The InChIKey is YTKLMSCANIRZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(6-7-9(2)12)10(3)11(4)13-5/h8,11H,3,6-7H2,1-2,4-5H3.
What are the key properties of 7-methoxy-5-methyl-6-methylideneoctan-2-one?
7-methoxy-5-methyl-6-methylideneoctan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-6-methylideneoctan-2-one is sourced from PubChem (CID 123449791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).