1-(methoxymethoxy)hexan-2-one

C8H16O3 — CID 10866630

IUPAC1-(methoxymethoxy)hexan-2-one
SMILESCCCCC(=O)COCOC
InChIInChI=1S/C8H16O3/c1-3-4-5-8(9)6-11-7-10-2/h3-7H2,1-2H3
InChIKeyXUKPYYKQMXKVFC-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.37
Rot. Bonds7

About 1-(methoxymethoxy)hexan-2-one

1-(methoxymethoxy)hexan-2-one (PubChem CID 10866630) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(methoxymethoxy)hexan-2-one.

Molecular Properties

Compound Name1-(methoxymethoxy)hexan-2-one
PubChem CID10866630
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(methoxymethoxy)hexan-2-one
SMILESCCCCC(=O)COCOC
InChIInChI=1S/C8H16O3/c1-3-4-5-8(9)6-11-7-10-2/h3-7H2,1-2H3
InChIKeyXUKPYYKQMXKVFC-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)hexan-2-one?
The IUPAC name of 1-(methoxymethoxy)hexan-2-one (CID 10866630) is 1-(methoxymethoxy)hexan-2-one.
What is the SMILES notation for 1-(methoxymethoxy)hexan-2-one?
The canonical SMILES for 1-(methoxymethoxy)hexan-2-one is CCCCC(=O)COCOC.
What is the InChIKey of 1-(methoxymethoxy)hexan-2-one?
The InChIKey is XUKPYYKQMXKVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-5-8(9)6-11-7-10-2/h3-7H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)hexan-2-one?
1-(methoxymethoxy)hexan-2-one has a molecular weight of 160.21 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)hexan-2-one is sourced from PubChem (CID 10866630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).