1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane

C16H34O6 — CID 20618039

IUPAC1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane
SMILESCCC(COC)(COC)COCC(COC)(COC)COC
InChIInChI=1S/C16H34O6/c1-7-15(8-17-2,9-18-3)13-22-14-16(10-19-4,11-20-5)12-21-6/h7-14H2,1-6H3
InChIKeyJSYZDBFYLYEGOF-UHFFFAOYSA-N
MW322.44 g/mol
LogP1.62
Rot. Bonds15

About 1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane

1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane (PubChem CID 20618039) has the molecular formula C16H34O6 and a molecular weight of 322.44 g/mol. Its IUPAC name is 1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane.

Molecular Properties

Compound Name1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane
PubChem CID20618039
Molecular FormulaC16H34O6
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC Name1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane
SMILESCCC(COC)(COC)COCC(COC)(COC)COC
InChIInChI=1S/C16H34O6/c1-7-15(8-17-2,9-18-3)13-22-14-16(10-19-4,11-20-5)12-21-6/h7-14H2,1-6H3
InChIKeyJSYZDBFYLYEGOF-UHFFFAOYSA-N
XLogP1.62
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethoxy-2,2-bis(ethoxymethyl)butane
CID 20670498
1,3-Dipropoxy-2,2-bis(propoxymethyl)propane
CID 13829254
1-[3-Butoxy-2,2-bis(butoxymethyl)propoxy]butane
CID 13829255
1,3-Dimethoxy-2-((3-methoxy-2,2-bis(methoxymethyl)-propoxy)methyl)-2-(methoxymethyl)propane
CID 13829258
2-Bis(methoxymethyl)butane
CID 22020736
1-Methoxy-2,2-bis(methoxymethyl)butane
CID 22472413
1-(2,2-Bis(methoxymethyl)butoxy)-2,2-bis(methoxymethyl)butane
CID 89403838
2,2'-((2-Ethyl-2-(hydroxymethyl)propane-1,3-diyl)bis(oxymethylene))bis(2-ethylpropane-1,3-diol)
CID 44152468
1-Ethoxy-2-(ethoxymethyl)-2-(methoxymethyl)butane
CID 89379260
1-[2,2-Bis(methoxymethyl)-3-(pentyloxy)propoxy]pentane
CID 53428031
5,8,12,15-Tetraoxanonadecane, 10,10-dimethyl-
CID 545723
3-[2,2-Bis[(3-methyloxetan-3-yl)methoxymethyl]butoxymethyl]-3-methyloxetane
CID 11825221

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane?
The IUPAC name of 1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane (CID 20618039) is 1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane.
What is the SMILES notation for 1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane?
The canonical SMILES for 1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane is CCC(COC)(COC)COCC(COC)(COC)COC.
What is the InChIKey of 1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane?
The InChIKey is JSYZDBFYLYEGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O6/c1-7-15(8-17-2,9-18-3)13-22-14-16(10-19-4,11-20-5)12-21-6/h7-14H2,1-6H3.
What are the key properties of 1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane?
1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane has a molecular weight of 322.44 g/mol, XLogP of 1.62, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)butane is sourced from PubChem (CID 20618039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).