methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane

C26H66O6 — CID 157491950

IUPACmethane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane
SMILESC.C.C.C.C.C.COCC(COC)COCC(COCC(COC)COC)CC(C)(C)C
InChIInChI=1S/C20H42O6.6CH4/c1-20(2,3)8-17(13-25-15-18(9-21-4)10-22-5)14-26-16-19(11-23-6)12-24-7;;;;;;/h17-19H,8-16H2,1-7H3;6*1H4
InChIKeyBXJPFUCIDISCIO-UHFFFAOYSA-N
MW474.81 g/mol
LogP6.71
Rot. Bonds17

About methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane

methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane (PubChem CID 157491950) has the molecular formula C26H66O6 and a molecular weight of 474.81 g/mol. Its IUPAC name is methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane.

Molecular Properties

Compound Namemethane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane
PubChem CID157491950
Molecular FormulaC26H66O6
Molecular Weight474.81 g/mol
Exact Mass474.49
IUPAC Namemethane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane
SMILESC.C.C.C.C.C.COCC(COC)COCC(COCC(COC)COC)CC(C)(C)C
InChIInChI=1S/C20H42O6.6CH4/c1-20(2,3)8-17(13-25-15-18(9-21-4)10-22-5)14-26-16-19(11-23-6)12-24-7;;;;;;/h17-19H,8-16H2,1-7H3;6*1H4
InChIKeyBXJPFUCIDISCIO-UHFFFAOYSA-N
XLogP6.71
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.81
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane
CID 169317578
1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane
CID 123711604
1,3-dimethoxy-2,2-bis(methoxymethyl)propane;1,3-dimethoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propane;1,3-dimethoxy-2-(methoxymethyl)propane
CID 158311699
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 90381386
2-(2,2-dimethylpropyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 107473244
1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane
CID 89011685
1-methoxy-2-(methoxymethyl)butane
CID 23295181
5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane
CID 160846124
4,5-bis(methoxymethyl)-2,2-dimethylnonane
CID 142709822
2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 107473280
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597

Frequently Asked Questions

What is the IUPAC name of methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane?
The IUPAC name of methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane (CID 157491950) is methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane.
What is the SMILES notation for methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane?
The canonical SMILES for methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane is C.C.C.C.C.C.COCC(COC)COCC(COCC(COC)COC)CC(C)(C)C.
What is the InChIKey of methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane?
The InChIKey is BXJPFUCIDISCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O6.6CH4/c1-20(2,3)8-17(13-25-15-18(9-21-4)10-22-5)14-26-16-19(11-23-6)12-24-7;;;;;;/h17-19H,8-16H2,1-7H3;6*1H4.
What are the key properties of methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane?
methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane has a molecular weight of 474.81 g/mol, XLogP of 6.71, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane is sourced from PubChem (CID 157491950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).