2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid

C13H26O4 — CID 106714362

IUPAC2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid
SMILESCCCOCCOCCCCC(C)(C)C(=O)O
InChIInChI=1S/C13H26O4/c1-4-8-16-10-11-17-9-6-5-7-13(2,3)12(14)15/h4-11H2,1-3H3,(H,14,15)
InChIKeyLGCJZKDKJYOLJG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.71
Rot. Bonds11

About 2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid

2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid (PubChem CID 106714362) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid
PubChem CID106714362
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid
SMILESCCCOCCOCCCCC(C)(C)C(=O)O
InChIInChI=1S/C13H26O4/c1-4-8-16-10-11-17-9-6-5-7-13(2,3)12(14)15/h4-11H2,1-3H3,(H,14,15)
InChIKeyLGCJZKDKJYOLJG-UHFFFAOYSA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.71
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-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid
CID 106714396
4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid
CID 104565005
calcium;6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoate;methane
CID 158008007
2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
CID 106714417
3-hexoxy-2,2-dimethylpropanoic acid
CID 79622011
2,2-dimethyldocosanoic acid
CID 23471202
6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid
CID 106714392
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
6-[(E)-but-2-enoxy]-2,2-dimethylhexanoic acid
CID 106714325
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
5-(3-methoxy-3-methylbutoxy)-2,2-dimethylpentanoic acid
CID 106668336
methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate
CID 63686600

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid?
The IUPAC name of 2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid (CID 106714362) is 2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid is CCCOCCOCCCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid?
The InChIKey is LGCJZKDKJYOLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-4-8-16-10-11-17-9-6-5-7-13(2,3)12(14)15/h4-11H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid?
2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid has a molecular weight of 246.35 g/mol, XLogP of 2.71, 11 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-propoxyethoxy)hexanoic acid is sourced from PubChem (CID 106714362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).