1,1,6,6-tetramethoxyhexan-2-one

C10H20O5 — CID 15895012

IUPAC1,1,6,6-tetramethoxyhexan-2-one
SMILESCOC(CCCC(=O)C(OC)OC)OC
InChIInChI=1S/C10H20O5/c1-12-9(13-2)7-5-6-8(11)10(14-3)15-4/h9-10H,5-7H2,1-4H3
InChIKeyCPCXUSULFGHNRF-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.96
Rot. Bonds9

About 1,1,6,6-tetramethoxyhexan-2-one

1,1,6,6-tetramethoxyhexan-2-one (PubChem CID 15895012) has the molecular formula C10H20O5 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1,1,6,6-tetramethoxyhexan-2-one.

Molecular Properties

Compound Name1,1,6,6-tetramethoxyhexan-2-one
PubChem CID15895012
Molecular FormulaC10H20O5
Molecular Weight220.27 g/mol
Exact Mass220.13
IUPAC Name1,1,6,6-tetramethoxyhexan-2-one
SMILESCOC(CCCC(=O)C(OC)OC)OC
InChIInChI=1S/C10H20O5/c1-12-9(13-2)7-5-6-8(11)10(14-3)15-4/h9-10H,5-7H2,1-4H3
InChIKeyCPCXUSULFGHNRF-UHFFFAOYSA-N
XLogP0.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.96
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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Related Compounds

1,1-Dimethoxyhexan-2-one
CID 242022
1,1-Dimethoxyheptan-2-one
CID 242023
1,1-Diethoxyhexan-2-one
CID 14002870
(2S)-2-(1-ethoxyethoxy)heptan-3-one
CID 14241773
2,2-Dimethoxyheptan-3-one
CID 134891047
4,4,6,6-Tetramethoxyhexan-2-on
CID 129648175
Oxopropanediol dicaproate
CID 129727820
6-Tetramethoxy-2-hexanone
CID 129748091
Tetramethoxy-2-hexanone
CID 129748415
6,6-Dimethoxyhexan-2-one
CID 12679481
2-(1-Ethoxyethoxy)heptan-3-one
CID 14241772
Lithium 6,6-dimethoxy-2-oxohexanoate
CID 23700872

Frequently Asked Questions

What is the IUPAC name of 1,1,6,6-tetramethoxyhexan-2-one?
The IUPAC name of 1,1,6,6-tetramethoxyhexan-2-one (CID 15895012) is 1,1,6,6-tetramethoxyhexan-2-one.
What is the SMILES notation for 1,1,6,6-tetramethoxyhexan-2-one?
The canonical SMILES for 1,1,6,6-tetramethoxyhexan-2-one is COC(CCCC(=O)C(OC)OC)OC.
What is the InChIKey of 1,1,6,6-tetramethoxyhexan-2-one?
The InChIKey is CPCXUSULFGHNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-12-9(13-2)7-5-6-8(11)10(14-3)15-4/h9-10H,5-7H2,1-4H3.
What are the key properties of 1,1,6,6-tetramethoxyhexan-2-one?
1,1,6,6-tetramethoxyhexan-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.96, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,6,6-tetramethoxyhexan-2-one is sourced from PubChem (CID 15895012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).