2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid

C14H28O4 — CID 106714396

IUPAC2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid
SMILESCC(C)(C)OCCOCCCCC(C)(C)C(=O)O
InChIInChI=1S/C14H28O4/c1-13(2,3)18-11-10-17-9-7-6-8-14(4,5)12(15)16/h6-11H2,1-5H3,(H,15,16)
InChIKeyUNIGBNFSUAAYBL-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.10
Rot. Bonds9

About 2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid

2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid (PubChem CID 106714396) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid
PubChem CID106714396
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid
SMILESCC(C)(C)OCCOCCCCC(C)(C)C(=O)O
InChIInChI=1S/C14H28O4/c1-13(2,3)18-11-10-17-9-7-6-8-14(4,5)12(15)16/h6-11H2,1-5H3,(H,15,16)
InChIKeyUNIGBNFSUAAYBL-UHFFFAOYSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid
CID 106714362
calcium;6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoate;methane
CID 158008007
2-ethyl-2-(methylamino)-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 106807155
4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid
CID 104565005
6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid
CID 106714392
2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanimidamide
CID 106712482
6-[(E)-but-2-enoxy]-2,2-dimethylhexanoic acid
CID 106714325
5-(3-methoxy-3-methylbutoxy)-2,2-dimethylpentanoic acid
CID 106668336
6-(5-carboxylato-5-methylhexoxy)-2,2-dimethylhexanoate
CID 140886143
2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86084927
6-(6-chloro-5,5-dimethyl-6-oxohexoxy)-2,2-dimethylhexanoyl chloride
CID 87462596
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid?
The IUPAC name of 2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid (CID 106714396) is 2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid is CC(C)(C)OCCOCCCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid?
The InChIKey is UNIGBNFSUAAYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-13(2,3)18-11-10-17-9-7-6-8-14(4,5)12(15)16/h6-11H2,1-5H3,(H,15,16).
What are the key properties of 2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid?
2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid has a molecular weight of 260.37 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid is sourced from PubChem (CID 106714396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).