1-methoxy-6-methylideneoctan-4-one

C10H18O2 — CID 66046945

IUPAC1-methoxy-6-methylideneoctan-4-one
SMILESC=C(CC)CC(=O)CCCOC
InChIInChI=1S/C10H18O2/c1-4-9(2)8-10(11)6-5-7-12-3/h2,4-8H2,1,3H3
InChIKeyGJCZGURFAHVZHK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds7

About 1-methoxy-6-methylideneoctan-4-one

1-methoxy-6-methylideneoctan-4-one (PubChem CID 66046945) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-methoxy-6-methylideneoctan-4-one.

Molecular Properties

Compound Name1-methoxy-6-methylideneoctan-4-one
PubChem CID66046945
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-methoxy-6-methylideneoctan-4-one
SMILESC=C(CC)CC(=O)CCCOC
InChIInChI=1S/C10H18O2/c1-4-9(2)8-10(11)6-5-7-12-3/h2,4-8H2,1,3H3
InChIKeyGJCZGURFAHVZHK-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.34
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

(6-Methylidene-9-oxodecyl) acetate
CID 102259507
Ethyl 9-methyl-7-oxodec-9-enoate
CID 135006984
6-Methoxy-2-methylhept-1-en-3-one
CID 21337066
8-Methoxy-3-methylideneoctan-2-one
CID 23393119
1,7-Dimethoxy-3,5-dimethylideneheptan-4-one
CID 54115998
28-Methoxy-2-methyloctacos-1-en-3-one
CID 57957212
2-Methyl-8-propan-2-yloxyoct-1-en-3-one
CID 58298931
2-Methyl-10-propan-2-yloxydec-1-en-3-one
CID 58298944
7-Methoxy-2-methylhept-1-en-3-one;yttrium
CID 59537182
26-Methoxy-2-methylhexacos-1-en-3-one
CID 88857833
29-Methoxy-2-methylnonacos-1-en-3-one
CID 90139531
7-(Methoxymethyl)oct-7-en-2-one
CID 90464295

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-methylideneoctan-4-one?
The IUPAC name of 1-methoxy-6-methylideneoctan-4-one (CID 66046945) is 1-methoxy-6-methylideneoctan-4-one.
What is the SMILES notation for 1-methoxy-6-methylideneoctan-4-one?
The canonical SMILES for 1-methoxy-6-methylideneoctan-4-one is C=C(CC)CC(=O)CCCOC.
What is the InChIKey of 1-methoxy-6-methylideneoctan-4-one?
The InChIKey is GJCZGURFAHVZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-9(2)8-10(11)6-5-7-12-3/h2,4-8H2,1,3H3.
What are the key properties of 1-methoxy-6-methylideneoctan-4-one?
1-methoxy-6-methylideneoctan-4-one has a molecular weight of 170.25 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-methylideneoctan-4-one is sourced from PubChem (CID 66046945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).