1,1,8,8-tetramethoxyoctan-4-one

C12H24O5 — CID 134894015

IUPAC1,1,8,8-tetramethoxyoctan-4-one
SMILESCOC(CCCC(=O)CCC(OC)OC)OC
InChIInChI=1S/C12H24O5/c1-14-11(15-2)7-5-6-10(13)8-9-12(16-3)17-4/h11-12H,5-9H2,1-4H3
InChIKeyZHWMBMRFTJNHNE-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.74
Rot. Bonds11

About 1,1,8,8-tetramethoxyoctan-4-one

1,1,8,8-tetramethoxyoctan-4-one (PubChem CID 134894015) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1,1,8,8-tetramethoxyoctan-4-one.

Molecular Properties

Compound Name1,1,8,8-tetramethoxyoctan-4-one
PubChem CID134894015
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name1,1,8,8-tetramethoxyoctan-4-one
SMILESCOC(CCCC(=O)CCC(OC)OC)OC
InChIInChI=1S/C12H24O5/c1-14-11(15-2)7-5-6-10(13)8-9-12(16-3)17-4/h11-12H,5-9H2,1-4H3
InChIKeyZHWMBMRFTJNHNE-UHFFFAOYSA-N
XLogP1.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,8,8-tetramethoxyoctan-4-one?
The IUPAC name of 1,1,8,8-tetramethoxyoctan-4-one (CID 134894015) is 1,1,8,8-tetramethoxyoctan-4-one.
What is the SMILES notation for 1,1,8,8-tetramethoxyoctan-4-one?
The canonical SMILES for 1,1,8,8-tetramethoxyoctan-4-one is COC(CCCC(=O)CCC(OC)OC)OC.
What is the InChIKey of 1,1,8,8-tetramethoxyoctan-4-one?
The InChIKey is ZHWMBMRFTJNHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-14-11(15-2)7-5-6-10(13)8-9-12(16-3)17-4/h11-12H,5-9H2,1-4H3.
What are the key properties of 1,1,8,8-tetramethoxyoctan-4-one?
1,1,8,8-tetramethoxyoctan-4-one has a molecular weight of 248.32 g/mol, XLogP of 1.74, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,8,8-tetramethoxyoctan-4-one is sourced from PubChem (CID 134894015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).