4-(methoxymethyl)hexan-2-one

C8H16O2 — CID 59855036

IUPAC4-(methoxymethyl)hexan-2-one
SMILESCCC(COC)CC(C)=O
InChIInChI=1S/C8H16O2/c1-4-8(6-10-3)5-7(2)9/h8H,4-6H2,1-3H3
InChIKeyJQDZNQVNJMYVMS-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.64
Rot. Bonds5

About 4-(methoxymethyl)hexan-2-one

4-(methoxymethyl)hexan-2-one (PubChem CID 59855036) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-(methoxymethyl)hexan-2-one.

Molecular Properties

Compound Name4-(methoxymethyl)hexan-2-one
PubChem CID59855036
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-(methoxymethyl)hexan-2-one
SMILESCCC(COC)CC(C)=O
InChIInChI=1S/C8H16O2/c1-4-8(6-10-3)5-7(2)9/h8H,4-6H2,1-3H3
InChIKeyJQDZNQVNJMYVMS-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methoxymethyl)-5-methylhexan-2-one
CID 12474851
1-(2-Methyloxan-4-yl)ethan-1-one
CID 66437009
1-(Oxepan-4-yl)ethan-1-one
CID 66470239
6-Methoxy-2-methyl-3-hexanone
CID 28541
1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)ethan-1-one
CID 3749982
Methyl 2-isopropyl-4-oxopentanoate
CID 15447802
Ethyl 2-ethyl-4-oxopentanoate
CID 13440727
3-Ethyl-7-methoxyheptane-4,5-dione
CID 129869453
3-Methyl-7-methoxyheptane-4,5-dione
CID 129870727
4-Fluoro-6-methoxy-2,4-dimethylhexan-3-one
CID 159680954
ethyl (2S)-2-ethyl-4-oxopentanoate
CID 5497069
3-(2-Methoxyethyl)pentane-2,4-dione
CID 11171125

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)hexan-2-one?
The IUPAC name of 4-(methoxymethyl)hexan-2-one (CID 59855036) is 4-(methoxymethyl)hexan-2-one.
What is the SMILES notation for 4-(methoxymethyl)hexan-2-one?
The canonical SMILES for 4-(methoxymethyl)hexan-2-one is CCC(COC)CC(C)=O.
What is the InChIKey of 4-(methoxymethyl)hexan-2-one?
The InChIKey is JQDZNQVNJMYVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-8(6-10-3)5-7(2)9/h8H,4-6H2,1-3H3.
What are the key properties of 4-(methoxymethyl)hexan-2-one?
4-(methoxymethyl)hexan-2-one has a molecular weight of 144.21 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)hexan-2-one is sourced from PubChem (CID 59855036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).