acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen

C17H43O6- — CID 157365000

IUPACacetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen
SMILESC.C.C.CC.CC(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)[O-].[H][H]
InChIInChI=1S/2C5H10O2.C2H4O2.C2H6.3CH4.H2/c2*1-5(2,3)4(6)7;1-2(3)4;1-2;;;;/h2*1-3H3,(H,6,7);1H3,(H,3,4);1-2H3;3*1H4;1H/p-1
InChIKeyCTOQGFZVKCMJNZ-UHFFFAOYSA-M
MW343.52 g/mol
LogP4.17
Rot. Bonds

About acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen

acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen (PubChem CID 157365000) has the molecular formula C17H43O6- and a molecular weight of 343.52 g/mol. Its IUPAC name is acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen.

Molecular Properties

Compound Nameacetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen
PubChem CID157365000
Molecular FormulaC17H43O6-
Molecular Weight343.52 g/mol
Exact Mass343.31
IUPAC Nameacetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen
SMILESC.C.C.CC.CC(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)[O-].[H][H]
InChIInChI=1S/2C5H10O2.C2H4O2.C2H6.3CH4.H2/c2*1-5(2,3)4(6)7;1-2(3)4;1-2;;;;/h2*1-3H3,(H,6,7);1H3,(H,3,4);1-2H3;3*1H4;1H/p-1
InChIKeyCTOQGFZVKCMJNZ-UHFFFAOYSA-M
XLogP4.17
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid;methane
CID 159044795
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid
CID 162191705
iodanium 2,2-dimethylpropanoate
CID 172810367
2,2-dimethylpropanoate;palladium
CID 146681285
potassium 2,2-dimethylpropanoate
CID 23662159
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
2,2-dimethylpropanoic acid
CID 87781698
tris(2,2-dimethylpropanoate);methyltin(3+)
CID 160806145
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
(2,2-dimethylpropanoate);docosakis(iron(3+));dodecakis(oxygen(2-));dodecahydroxide
CID 139166121
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen?
The IUPAC name of acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen (CID 157365000) is acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen.
What is the SMILES notation for acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen?
The canonical SMILES for acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen is C.C.C.CC.CC(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)[O-].[H][H].
What is the InChIKey of acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen?
The InChIKey is CTOQGFZVKCMJNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H10O2.C2H4O2.C2H6.3CH4.H2/c2*1-5(2,3)4(6)7;1-2(3)4;1-2;;;;/h2*1-3H3,(H,6,7);1H3,(H,3,4);1-2H3;3*1H4;1H/p-1.
What are the key properties of acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen?
acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen has a molecular weight of 343.52 g/mol, XLogP of 4.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2-dimethylpropanoate;2,2-dimethylpropanoic acid;ethane;methane;molecular hydrogen is sourced from PubChem (CID 157365000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).