2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane

C20H48O2 — CID 158145131

IUPAC2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane
SMILESC.CCC(C)(C)C.CCOC(C)(C)C.CCOCC(C)(C)C
InChIInChI=1S/C7H16O.C6H14O.C6H14.CH4/c1-5-8-6-7(2,3)4;1-5-7-6(2,3)4;1-5-6(2,3)4;/h5-6H2,1-4H3;5H2,1-4H3;5H2,1-4H3;1H4
InChIKeyFUKTXJJGEUVQPP-UHFFFAOYSA-N
MW320.60 g/mol
LogP6.97
Rot. Bonds3

About 2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane

2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane (PubChem CID 158145131) has the molecular formula C20H48O2 and a molecular weight of 320.60 g/mol. Its IUPAC name is 2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane.

Molecular Properties

Compound Name2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane
PubChem CID158145131
Molecular FormulaC20H48O2
Molecular Weight320.60 g/mol
Exact Mass320.37
IUPAC Name2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane
SMILESC.CCC(C)(C)C.CCOC(C)(C)C.CCOCC(C)(C)C
InChIInChI=1S/C7H16O.C6H14O.C6H14.CH4/c1-5-8-6-7(2,3)4;1-5-7-6(2,3)4;1-5-6(2,3)4;/h5-6H2,1-4H3;5H2,1-4H3;5H2,1-4H3;1H4
InChIKeyFUKTXJJGEUVQPP-UHFFFAOYSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.60
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane
CID 158438314
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
CID 89254988
2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane
CID 88944540
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
2,2-dimethylbutane;2-ethoxy-2-methylpropane;2-methyl-2-[1-[(2-methylpropan-2-yl)oxy]ethoxy]propane;2,2,3,4,4-pentamethylpentane
CID 158609051
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane?
The IUPAC name of 2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane (CID 158145131) is 2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane.
What is the SMILES notation for 2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane?
The canonical SMILES for 2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane is C.CCC(C)(C)C.CCOC(C)(C)C.CCOCC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane?
The InChIKey is FUKTXJJGEUVQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C6H14O.C6H14.CH4/c1-5-8-6-7(2,3)4;1-5-7-6(2,3)4;1-5-6(2,3)4;/h5-6H2,1-4H3;5H2,1-4H3;5H2,1-4H3;1H4.
What are the key properties of 2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane?
2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane has a molecular weight of 320.60 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane is sourced from PubChem (CID 158145131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).