manganese;3,3,5,5-tetramethylhexanoic acid

C10H20MnO2 — CID 139596893

IUPACmanganese;3,3,5,5-tetramethylhexanoic acid
SMILESCC(C)(C)CC(C)(C)CC(=O)O.[Mn]
InChIInChI=1S/C10H20O2.Mn/c1-9(2,3)7-10(4,5)6-8(11)12;/h6-7H2,1-5H3,(H,11,12);
InChIKeyRCRGINDDSWHQBP-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.92
Rot. Bonds3

About manganese;3,3,5,5-tetramethylhexanoic acid

manganese;3,3,5,5-tetramethylhexanoic acid (PubChem CID 139596893) has the molecular formula C10H20MnO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is manganese;3,3,5,5-tetramethylhexanoic acid.

Molecular Properties

Compound Namemanganese;3,3,5,5-tetramethylhexanoic acid
PubChem CID139596893
Molecular FormulaC10H20MnO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Namemanganese;3,3,5,5-tetramethylhexanoic acid
SMILESCC(C)(C)CC(C)(C)CC(=O)O.[Mn]
InChIInChI=1S/C10H20O2.Mn/c1-9(2,3)7-10(4,5)6-8(11)12;/h6-7H2,1-5H3,(H,11,12);
InChIKeyRCRGINDDSWHQBP-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(dimethylamino)-3,3,5-trimethylhexanoic acid
CID 123179044
barium(2+);bis(3,3,5,5-tetramethylhexanoate)
CID 164512103
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3,3-dimethylbutanoic acid;yttrium
CID 59798482
4-amino-3,3-dimethylbutanoic acid
CID 910834
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
N,3,3,5,5-pentamethylhexanamide
CID 134573804
6-(hydroxymethoxy)-3,3,5,5-tetramethylhexanoic acid
CID 59497054
5-ethyl-3,3,5-trimethyloctanoic acid
CID 129126671
CID 174276018
CID 174276018
4,4,6,6,8,8-hexamethylnonanoic acid
CID 134471659
3,3,5-trimethyl-5-phenylhexanoic acid
CID 167163397

Frequently Asked Questions

What is the IUPAC name of manganese;3,3,5,5-tetramethylhexanoic acid?
The IUPAC name of manganese;3,3,5,5-tetramethylhexanoic acid (CID 139596893) is manganese;3,3,5,5-tetramethylhexanoic acid.
What is the SMILES notation for manganese;3,3,5,5-tetramethylhexanoic acid?
The canonical SMILES for manganese;3,3,5,5-tetramethylhexanoic acid is CC(C)(C)CC(C)(C)CC(=O)O.[Mn].
What is the InChIKey of manganese;3,3,5,5-tetramethylhexanoic acid?
The InChIKey is RCRGINDDSWHQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Mn/c1-9(2,3)7-10(4,5)6-8(11)12;/h6-7H2,1-5H3,(H,11,12);.
What are the key properties of manganese;3,3,5,5-tetramethylhexanoic acid?
manganese;3,3,5,5-tetramethylhexanoic acid has a molecular weight of 227.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;3,3,5,5-tetramethylhexanoic acid is sourced from PubChem (CID 139596893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).