1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane

C9H20O3 — CID 23384644

IUPAC1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane
SMILESCOCC(COC)(OC)C(C)C
InChIInChI=1S/C9H20O3/c1-8(2)9(12-5,6-10-3)7-11-4/h8H,6-7H2,1-5H3
InChIKeyDIXPELAXZHFWTF-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.32
Rot. Bonds6

About 1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane

1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane (PubChem CID 23384644) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane.

Molecular Properties

Compound Name1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane
PubChem CID23384644
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane
SMILESCOCC(COC)(OC)C(C)C
InChIInChI=1S/C9H20O3/c1-8(2)9(12-5,6-10-3)7-11-4/h8H,6-7H2,1-5H3
InChIKeyDIXPELAXZHFWTF-UHFFFAOYSA-N
XLogP1.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pinacol dimethyl ether
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3-Methoxy-3-methyl-1-(2-methylpropoxy)butane
CID 44602849
3-Methoxy-3-methyl-1-(3-methylbutoxy)butane
CID 44602850
2-Methyl-2-propan-2-yl-1,4-dioxane
CID 118612964
2,6-Diethyl-2-methyl-1,4-dioxepane
CID 143642366
3-Ethoxy-3-propan-2-yloxetane
CID 155622548
1,3-Dimethoxy-2,3-dimethylbutane
CID 552148
2,3-Dibutoxy-2,3-dimethylbutane
CID 20496097
2,3-Dimethyl-2,3-dipropoxybutane
CID 20496099
1,2-Dimethoxy-2-(methoxymethyl)butane
CID 20588963
1,2-Dimethoxy-2,3-dimethylbutane
CID 21705258
1-Methoxy-2-(methoxymethyl)-3-methylbutane
CID 22020752

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane?
The IUPAC name of 1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane (CID 23384644) is 1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane.
What is the SMILES notation for 1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane?
The canonical SMILES for 1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane is COCC(COC)(OC)C(C)C.
What is the InChIKey of 1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane?
The InChIKey is DIXPELAXZHFWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-8(2)9(12-5,6-10-3)7-11-4/h8H,6-7H2,1-5H3.
What are the key properties of 1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane?
1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane has a molecular weight of 176.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-2-(methoxymethyl)-3-methylbutane is sourced from PubChem (CID 23384644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).