2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane

C13H28O3 — CID 129163794

IUPAC2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane
SMILESCCC(C)(CC(COC(C)(C)C)OC)OC
InChIInChI=1S/C13H28O3/c1-8-13(5,15-7)9-11(14-6)10-16-12(2,3)4/h11H,8-10H2,1-7H3
InChIKeyJETWMRIIDXCGON-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.02
Rot. Bonds7

About 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane

2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 129163794) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID129163794
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane
SMILESCCC(C)(CC(COC(C)(C)C)OC)OC
InChIInChI=1S/C13H28O3/c1-8-13(5,15-7)9-11(14-6)10-16-12(2,3)4/h11H,8-10H2,1-7H3
InChIKeyJETWMRIIDXCGON-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxirane, ((1,1-dimethylbutoxy)methyl)
CID 142603
2-(2-Fluoroethoxy)-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexane
CID 166880380
2-(2-Methoxybutan-2-yl)oxetane
CID 175476646
2,2-Dibutyl-4-methoxyoxolane
CID 51358010
2-[(1-Methylcyclohexyl)oxymethyl]oxirane
CID 19817910
2,3,4,5-Tetramethoxy-2,5-dimethylhexane
CID 20759498
3,4-Dimethoxy-2,5,6-trimethyloxane
CID 20816379
3,5-Dimethoxy-2,4,6-trimethyloxane
CID 20816380
1,2-Diethoxy-3-(ethoxymethyl)pentane
CID 21051621
5-Methoxy-5-(1-methoxyethyl)nonane
CID 21707323
2-(Methoxymethyl)-3-propyloxetane
CID 22160817
3,4-Diethoxy-3-ethylhexane
CID 22991069

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane (CID 129163794) is 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane is CCC(C)(CC(COC(C)(C)C)OC)OC.
What is the InChIKey of 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is JETWMRIIDXCGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-8-13(5,15-7)9-11(14-6)10-16-12(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane?
2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 232.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 129163794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).