2,2-dimethoxypropane;methane

C6H16O2 — CID 162063722

IUPAC2,2-dimethoxypropane;methane
SMILESC.COC(C)(C)OC
InChIInChI=1S/C5H12O2.CH4/c1-5(2,6-3)7-4;/h1-4H3;1H4
InChIKeyZAEIGIFKVBNTBE-UHFFFAOYSA-N
MW120.19 g/mol
LogP1.65
Rot. Bonds2

About 2,2-dimethoxypropane;methane

2,2-dimethoxypropane;methane (PubChem CID 162063722) has the molecular formula C6H16O2 and a molecular weight of 120.19 g/mol. Its IUPAC name is 2,2-dimethoxypropane;methane.

Molecular Properties

Compound Name2,2-dimethoxypropane;methane
PubChem CID162063722
Molecular FormulaC6H16O2
Molecular Weight120.19 g/mol
Exact Mass120.12
IUPAC Name2,2-dimethoxypropane;methane
SMILESC.COC(C)(C)OC
InChIInChI=1S/C5H12O2.CH4/c1-5(2,6-3)7-4;/h1-4H3;1H4
InChIKeyZAEIGIFKVBNTBE-UHFFFAOYSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzene;2,2-dimethoxypropane
CID 174975680
2,2-dimethoxypropane;bis(2,2-dimethylpropane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)
CID 162093824
2,2-dimethoxypropane;bis(2,2-dimethylpropane);bis(2,2,3,3,4,4-hexamethylpentane);2-methoxy-2-methylpropane;tris(2,2,3,3-tetramethylbutane)
CID 161459910
2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one
CID 159261197
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
2-methoxy-2-methylpropane;hydrate
CID 23212559
hydron;2-methoxy-2-methylpropane
CID 174107716
2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane
CID 160972602
1,1,1-trimethoxyethane;hydrochloride
CID 162313346
hydrazine;2-methoxy-2-methylpropane
CID 158568740
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
2-(2-iodoethoxy)-2-methoxypropane
CID 19858315

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropane;methane?
The IUPAC name of 2,2-dimethoxypropane;methane (CID 162063722) is 2,2-dimethoxypropane;methane.
What is the SMILES notation for 2,2-dimethoxypropane;methane?
The canonical SMILES for 2,2-dimethoxypropane;methane is C.COC(C)(C)OC.
What is the InChIKey of 2,2-dimethoxypropane;methane?
The InChIKey is ZAEIGIFKVBNTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.CH4/c1-5(2,6-3)7-4;/h1-4H3;1H4.
What are the key properties of 2,2-dimethoxypropane;methane?
2,2-dimethoxypropane;methane has a molecular weight of 120.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropane;methane is sourced from PubChem (CID 162063722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).