1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane

C15H32O3 — CID 171725386

IUPAC1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane
SMILESCCC(COC)(COC(C)(C)C)COC(C)(C)C
InChIInChI=1S/C15H32O3/c1-9-15(10-16-8,11-17-13(2,3)4)12-18-14(5,6)7/h9-12H2,1-8H3
InChIKeyAHMGWMXEUMZSJH-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.66
Rot. Bonds7

About 1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane

1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane (PubChem CID 171725386) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane.

Molecular Properties

Compound Name1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane
PubChem CID171725386
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane
SMILESCCC(COC)(COC(C)(C)C)COC(C)(C)C
InChIInChI=1S/C15H32O3/c1-9-15(10-16-8,11-17-13(2,3)4)12-18-14(5,6)7/h9-12H2,1-8H3
InChIKeyAHMGWMXEUMZSJH-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane
CID 86682667
3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentanedioic acid
CID 89274364
1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
CID 89254988
2-ethyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxymethyl]propane-1,3-diol
CID 166664607
ethane;1-ethoxy-2,2-bis(methoxymethyl)butane;vanadium
CID 144965251
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 123698451
1-methoxy-N,N,2-trimethylbutan-2-amine
CID 162379488
3,5-bis(methoxymethyl)-3,5-dimethylheptane
CID 21036025
2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine
CID 103984566
3-ethyl-3-(methoxymethyl)hexane;prop-1-ene
CID 158901199
3,4-diethyl-3,4-bis(methoxymethyl)hexane
CID 22153406
2,2-diethoxy-1-methoxypropane
CID 168868590

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane?
The IUPAC name of 1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane (CID 171725386) is 1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane.
What is the SMILES notation for 1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane?
The canonical SMILES for 1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane is CCC(COC)(COC(C)(C)C)COC(C)(C)C.
What is the InChIKey of 1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane?
The InChIKey is AHMGWMXEUMZSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-9-15(10-16-8,11-17-13(2,3)4)12-18-14(5,6)7/h9-12H2,1-8H3.
What are the key properties of 1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane?
1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane has a molecular weight of 260.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane is sourced from PubChem (CID 171725386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).