5,6-dimethoxyhexan-2-one

C8H16O3 — CID 89027763

IUPAC5,6-dimethoxyhexan-2-one
SMILESCOCC(CCC(C)=O)OC
InChIInChI=1S/C8H16O3/c1-7(9)4-5-8(11-3)6-10-2/h8H,4-6H2,1-3H3
InChIKeyODDGQXWJWNCMJU-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.02
Rot. Bonds6

About 5,6-dimethoxyhexan-2-one

5,6-dimethoxyhexan-2-one (PubChem CID 89027763) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5,6-dimethoxyhexan-2-one.

Molecular Properties

Compound Name5,6-dimethoxyhexan-2-one
PubChem CID89027763
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5,6-dimethoxyhexan-2-one
SMILESCOCC(CCC(C)=O)OC
InChIInChI=1S/C8H16O3/c1-7(9)4-5-8(11-3)6-10-2/h8H,4-6H2,1-3H3
InChIKeyODDGQXWJWNCMJU-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,5,6-tetramethoxyhexane
CID 18679814
1,2-dimethoxypentane
CID 22961171
6-acetyloxy-4-methoxyhexanoic acid
CID 175550435
2,3-dimethoxypropyl 2-aminoacetate
CID 163449313
1,2-dimethoxy-5,5-dimethylhexane
CID 154608131
acetic acid;3-methoxypropane-1,2-diol
CID 71422269
[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
CID 130694563
acetic acid;2-methoxyhexan-1-ol
CID 71318556
(3S)-3-methoxyhexanedioic acid
CID 12636073
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
2,6-dimethoxyhexan-1-ol
CID 152602775
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxyhexan-2-one?
The IUPAC name of 5,6-dimethoxyhexan-2-one (CID 89027763) is 5,6-dimethoxyhexan-2-one.
What is the SMILES notation for 5,6-dimethoxyhexan-2-one?
The canonical SMILES for 5,6-dimethoxyhexan-2-one is COCC(CCC(C)=O)OC.
What is the InChIKey of 5,6-dimethoxyhexan-2-one?
The InChIKey is ODDGQXWJWNCMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(9)4-5-8(11-3)6-10-2/h8H,4-6H2,1-3H3.
What are the key properties of 5,6-dimethoxyhexan-2-one?
5,6-dimethoxyhexan-2-one has a molecular weight of 160.21 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxyhexan-2-one is sourced from PubChem (CID 89027763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).